N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0221 |
| Compound Name: | N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide |
| Molecular Weight: | 412.42 |
| Molecular Formula: | C19 H16 N4 O5 S |
| Smiles: | Cc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1093 |
| logD: | 1.6715 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.782 |
| InChI Key: | FRNGHDHKJUSRMU-UHFFFAOYSA-N |