3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | K409-0426 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CSCc2n1)NC(/C=C\c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4676 |
| logD: | 5.4676 |
| logSw: | -5.5079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.231 |
| InChI Key: | TXZLLIFFOOVENY-UHFFFAOYSA-N |