N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-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]adamantane-1-carboxamide
N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K410-0465 |
| Compound Name: | N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]adamantane-1-carboxamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6092 |
| logD: | 3.6082 |
| logSw: | -3.9381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.116 |
| InChI Key: | WVDRWHOBNGISCR-UHFFFAOYSA-N |