AC1NB05I

4-chloro-N-[[4-(2-methoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide

Also Known As: F0507-4287|4-chloro-N-{[4-(2-methoxyphenyl)-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide|4-chloro-N-((4-(2-methoxyphenyl)-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3-nitrobenzamide|4-chloro-N-[[4-(2-methoxyphenyl)-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide

Molecular Formula	C22H19ClN8O5S2
Molecular Weight	574.06085 g/mol
LogP	3.65822
Topological Polar Surface Area	167.06 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	574.06085
Monoisotopic Mass	574.06085
Heavy Atoms	38
Complexity	1508.6412

Chemical Identifiers

CAS Number	391939-05-2
SMILES	CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3OC)CNC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]