3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | K410-0722 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C23 H23 N3 O6 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(/C=C\c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5153 |
| logD: | 2.5152 |
| logSw: | -3.0687 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.293 |
| InChI Key: | OCUHVCIXIYELOV-UHFFFAOYSA-N |