AC1M21EU

4-chloro-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide

Also Known As: Oprea1_760108|F0561-0610|SR-01000007198-1|4-chloro-N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-nitrobenzamide|4-chloro-N-[2-(2,3-dimethylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|4-chloro-N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|4-(4-chloro-3-nitrobenzylamino)-3-(2,3-xylyl)-7-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-7-ium-7-olate

Molecular Formula	C20H17ClN4O4S
Molecular Weight	444.06592 g/mol
LogP	4.06534
Topological Polar Surface Area	107.13 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	444.06592
Monoisotopic Mass	444.06592
Heavy Atoms	30
Complexity	1237.7847

Chemical Identifiers

CAS Number	1007193-30-7
SMILES	CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C