N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | K410-0338 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 431.85 |
| Molecular Formula: | C19 H14 Cl N3 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.554 |
| logD: | 2.5512 |
| logSw: | -3.5367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.817 |
| InChI Key: | SWIHSGJVCDPAMP-UHFFFAOYSA-N |