N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide
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]-2-(3,4-dimethoxyphenyl)acetamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K410-0430 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C21 H20 Cl N3 O5 S |
| Smiles: | COc1ccc(CC(Nc2c3CS(Cc3nn2c2ccc(cc2)[Cl])(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1177 |
| logD: | 2.1173 |
| logSw: | -3.2089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.749 |
| InChI Key: | LCPPKGXSSVULPG-UHFFFAOYSA-N |