4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0535 |
| Compound Name: | 4-(diethylsulfamoyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 533.58 |
| Molecular Formula: | C22 H23 N5 O7 S2 |
| Smiles: | CCN(CC)S(c1ccc(cc1)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8471 |
| logD: | 1.8386 |
| logSw: | -2.5204 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.179 |
| InChI Key: | QLFOVNQATIWOGZ-UHFFFAOYSA-N |