N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K410-0438 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 503.96 |
| Molecular Formula: | C23 H22 Cl N3 O6 S |
| Smiles: | COc1cc(\C=C/C(Nc2c3CS(Cc3nn2c2ccc(cc2)[Cl])(=O)=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9659 |
| logD: | 2.9658 |
| logSw: | -3.7413 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.466 |
| InChI Key: | DWCYHSASGBVLAS-UHFFFAOYSA-N |