N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
Compound characteristics
| Compound ID: | K410-0334 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C20 H18 Cl N3 O5 S |
| Smiles: | COc1cccc(C(Nc2c3CS(Cc3nn2c2cccc(c2)[Cl])(=O)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4413 |
| logD: | 2.3429 |
| logSw: | -3.5105 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.049 |
| InChI Key: | XTERZQSHCKVEQT-UHFFFAOYSA-N |