3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide
Compound characteristics
| Compound ID: | K410-0439 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]prop-2-enamide |
| Molecular Weight: | 457.89 |
| Molecular Formula: | C21 H16 Cl N3 O5 S |
| Smiles: | C1Oc2ccc(\C=C/C(Nc3c4CS(Cc4nn3c3ccc(cc3)[Cl])(=O)=O)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.4258 |
| logD: | 3.4257 |
| logSw: | -4.2118 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.603 |
| InChI Key: | BYIPOQJAUMRRQW-UHFFFAOYSA-N |