N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
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-(3,4-dimethoxyphenyl)prop-2-enamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K410-0449 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C22 H20 Cl N3 O5 S |
| Smiles: | COc1ccc(\C=C/C(Nc2c3CS(Cc3nn2c2ccc(cc2)[Cl])(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1276 |
| logD: | 3.1275 |
| logSw: | -3.8784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.749 |
| InChI Key: | KCGPTCZPEUYCMC-UHFFFAOYSA-N |