1.0 2010-04-08 22:08:48 UTC 2018-05-28 23:25:42 UTC FDB009811 Methyl acrylate-dvb(2%), copolymer, aminolyzed with dmapa It is used as a food additive . C18H18N6O3S 398.439 398.116109162 4-methoxy-N'-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide 4-methoxy-N'-(2-{[4-methyl-5-(pyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide 128903-15-1 COC1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NN=C(N1C)C1=CN=CC=C1 InChI=1S/C18H18N6O3S/c1-24-16(13-4-3-9-19-10-13)21-23-18(24)28-11-15(25)20-22-17(26)12-5-7-14(27-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,25)(H,22,26) VZAIFVKTKJTLKF-UHFFFAOYSA-N belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring. Pyridyl-1,2,4-triazoles Organic compounds Organoheterocyclic compounds Pyridines and derivatives Pyridyltriazoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Alkylarylthioethers Anisoles Azacyclic compounds Benzoic acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acid hydrazides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Organonitrogen compounds Organopnictogen compounds Phenoxy compounds Sulfenyl compounds Triazoles 1,2,4-triazole Alkyl aryl ether Alkylarylthioether Anisole Aromatic heteromonocyclic compound Aryl thioether Azacycle Azole Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid hydrazide Ether Heteroaromatic compound Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenol ether Phenoxy compound Pyridyl-1,2,4-triazole Sulfenyl compound Thioether Triazole logp 0.97 ALOGPS logs -3.67 ALOGPS solubility 8.42e-02 g/l ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 9.78 ChemAxon pka_strongest_basic 3.96 ChemAxon iupac 4-methoxy-N'-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide ChemAxon average_mass 398.439 ChemAxon mono_mass 398.116109162 ChemAxon smiles COC1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NN=C(N1C)C1=CN=CC=C1 ChemAxon formula C18H18N6O3S ChemAxon inchi InChI=1S/C18H18N6O3S/c1-24-16(13-4-3-9-19-10-13)21-23-18(24)28-11-15(25)20-22-17(26)12-5-7-14(27-2)8-6-12/h3-10H,11H2,1-2H3,(H,20,25)(H,22,26) ChemAxon inchikey VZAIFVKTKJTLKF-UHFFFAOYSA-N ChemAxon polar_surface_area 111.03 ChemAxon refractivity 117.36 ChemAxon polarizability 40.03 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22012 Specdb::CMs 170375 Specdb::MsMs 67203 Specdb::MsMs 67204 Specdb::MsMs 67205 Specdb::MsMs 124956 Specdb::MsMs 124957 Specdb::MsMs 124958 Specdb::MsMs 2809622 Specdb::MsMs 2809623 Specdb::MsMs 2809624 Specdb::MsMs 2899113 Specdb::MsMs 2899114 Specdb::MsMs 2899115 HMDB32389 #<Reference:0x000055ce3235e9a8>