N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
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-dimethoxybenzamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | K410-0420 |
| 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-dimethoxybenzamide |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C20 H18 Cl N3 O5 S |
| Smiles: | COc1ccc(cc1OC)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2161 |
| logD: | 2.2158 |
| logSw: | -3.448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.962 |
| InChI Key: | QSZIHQPQLQMRFN-UHFFFAOYSA-N |