AC1NE99N

4-methyl-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide

Also Known As: F0507-4848|4-methyl-3-nitro-N-((5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide|4-methyl-N-[[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide|4-methyl-N-{[5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide

Molecular Formula	C26H24N6O4S
Molecular Weight	516.15796 g/mol
LogP	4.45314
Topological Polar Surface Area	132.05 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	516.15796
Monoisotopic Mass	516.15796
Heavy Atoms	37
Complexity	1454.7147

Chemical Identifiers

CAS Number	391940-82-2
SMILES	CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]