N-[2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-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: | K410-0249 |
| Compound Name: | N-[2-(4-methylphenyl)-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: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | Cc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.343 |
| logD: | 2.3426 |
| logSw: | -2.9819 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.817 |
| InChI Key: | QSTCFSWTRVTQCT-UHFFFAOYSA-N |