N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
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]-3,4,5-trimethoxybenzamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K410-0421 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 477.92 |
| Molecular Formula: | C21 H20 Cl N3 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3727 |
| logD: | 2.3726 |
| logSw: | -3.5287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.679 |
| InChI Key: | NGHXZYLUHKDDSQ-UHFFFAOYSA-N |