3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-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-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | K410-0803 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(/C=C\c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8711 |
| logD: | 3.871 |
| logSw: | -4.0928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.302 |
| InChI Key: | WTTYQTIFZZCZMQ-UHFFFAOYSA-N |