AC1NNI5M structure

AC1NNI5M

2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide

Also Known As: Oprea1_122521|SR-01000570102-1|F0541-0349|2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide|2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|2-methyl-N-[2-(4-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide

CAS: 449787-74-0
Molecular Formula C20H18N4O5S
Molecular Weight 426.0998 g/mol
LogP 3.07804
Topological Polar Surface Area 124.2 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 426.0998
Monoisotopic Mass 426.0998
Heavy Atoms 30
Complexity 1293.4762

Chemical Identifiers

CAS Number 449787-74-0
SMILES CC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Product Overview

AC1NNI5M (CAS 449787-74-0), with molecular formula C20H18N4O5S and molecular weight 426.0998 g/mol. IUPAC: 2-methyl-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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