3-[4-(adamantan-1-yl)piperazine-1-sulfonyl]-N-(3-nitrophenyl)benzamide
Chemical Structure Depiction of
3-[4-(adamantan-1-yl)piperazine-1-sulfonyl]-N-(3-nitrophenyl)benzamide
3-[4-(adamantan-1-yl)piperazine-1-sulfonyl]-N-(3-nitrophenyl)benzamide
Compound characteristics
| Compound ID: | 8013-1820 |
| Compound Name: | 3-[4-(adamantan-1-yl)piperazine-1-sulfonyl]-N-(3-nitrophenyl)benzamide |
| Molecular Weight: | 524.64 |
| Molecular Formula: | C27 H32 N4 O5 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)S(c1cccc(c1)C(Nc1cccc(c1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2447 |
| logD: | 5.1143 |
| logSw: | -5.447 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.374 |
| InChI Key: | QUJSPACNMFCDJP-UHFFFAOYSA-N |