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
| 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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