MLS000589625

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]triazole-4-carboxamide

Also Known As: AB01209874-01|AB01209874-03|(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-N'-(4-isopropylbenzylidene)-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide|1-(4-Amino-furazan-3-yl)-5-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-1H-[1,2,3]triazole-4-carboxylic acid [1-(4-isopropyl-phenyl)-meth-(E)-ylidene]-hydrazide

Molecular Formula	C19H21N9O2S2
Molecular Weight	471.12598 g/mol
LogP	2.4558
Topological Polar Surface Area	149.47 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	471.12598
Monoisotopic Mass	471.12598
Heavy Atoms	32
Complexity	1152.0173

Chemical Identifiers

CAS Number	577962-53-9
SMILES	CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4