3-(3,4-dimethoxyphenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | K410-0182 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(/C=C\c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0629 |
| logD: | 3.0626 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.448 |
| InChI Key: | PYELSFNWVCAAHE-UHFFFAOYSA-N |