1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
Compound characteristics
| Compound ID: | K410-0532 |
| Compound Name: | 1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C23 H21 Cl N4 O5 S |
| Smiles: | C1CCC(C1)(C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8424 |
| logD: | 3.8397 |
| logSw: | -4.617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.369 |
| InChI Key: | WJLVMMAICMSQJZ-UHFFFAOYSA-N |