3-cyclopentyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
Chemical Structure Depiction of
3-cyclopentyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
3-cyclopentyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide
Compound characteristics
| Compound ID: | K410-0463 |
| Compound Name: | 3-cyclopentyl-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]propanamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | C1CCC(C1)CCC(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4164 |
| logD: | 2.4163 |
| logSw: | -2.7881 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.427 |
| InChI Key: | BFERVAWHURCTQJ-UHFFFAOYSA-N |