N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | K410-0408 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethylbenzamide |
| Molecular Weight: | 415.9 |
| Molecular Formula: | C20 H18 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1C)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5778 |
| logD: | 3.5663 |
| logSw: | -4.1204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | ZHZZQUXTPJQOOO-UHFFFAOYSA-N |