AC1N4O8X

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

Also Known As: F0507-4857|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide

Molecular Formula	C26H21N7O4S2
Molecular Weight	559.1096 g/mol
LogP	4.75442
Topological Polar Surface Area	144.94 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	559.1096
Monoisotopic Mass	559.1096
Heavy Atoms	39
Complexity	1651.4773

Chemical Identifiers

CAS Number	391940-91-3
SMILES	CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]