N-[2-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-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: | K410-0516 |
| Compound Name: | N-[2-(4-nitrophenyl)-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: | 442.41 |
| Molecular Formula: | C19 H14 N4 O7 S |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8452 |
| logD: | 1.8449 |
| logSw: | -2.6192 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.198 |
| InChI Key: | MOYNWOKCVVCTCE-UHFFFAOYSA-N |