AC1MGQ9J

N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide

Also Known As: N-{2-hydroxy-1-[5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide|N-[2-hydroxy-1-[5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide

Molecular Formula	C24H26N6O6S
Molecular Weight	526.16345 g/mol
LogP	2.88352
Topological Polar Surface Area	161.51 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	526.16345
Monoisotopic Mass	526.16345
Heavy Atoms	37
Complexity	1293.3816

Chemical Identifiers

CAS Number	823830-64-4
SMILES	CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(CO)NC(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]