CBKinase1_002300

N-(2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: CBKinase1_002300|CBKinase1_014700|CS82|BAS 01916108|AG-690/40697257|BRD-K16997079-001-01-8|N-(2-methoxyphenyl)-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]acet amide|2-[(5-{4-nitrophenyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(methyloxy)phenyl]acetamide

Molecular Formula	C23H19N5O4S
Molecular Weight	461.11578 g/mol
LogP	4.5819
Topological Polar Surface Area	112.18 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	461.11578
Monoisotopic Mass	461.11578
Heavy Atoms	33
Complexity	1275.7736

Chemical Identifiers

CAS Number	332935-29-2
SMILES	COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]