4-butyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
4-butyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K410-0461 |
| Compound Name: | 4-butyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Smiles: | CCCCC1CCC(CC1)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0605 |
| logD: | 4.0601 |
| logSw: | -4.0319 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.275 |
| InChI Key: | BKQBLQMXBKLWIT-UHFFFAOYSA-N |