Oprea1_532083
4-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Also Known As: Oprea1_532083|SR-01000570020-1|F0541-0252|4-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|4-methyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|4-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide|N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-methyl-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 | 1310.7262 |
Chemical Identifiers
| CAS Number | 449786-05-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C3CS(=O)(=O)CC3=NN2C4=CC=CC=C4C)[N+](=O)[O-] |
Product Overview
Oprea1_532083 (CAS 449786-05-4), with molecular formula C20H18N4O5S and molecular weight 426.0998 g/mol. IUPAC: 4-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide.