2-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Chemical Structure Depiction of
2-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
2-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol
Compound characteristics
| Compound ID: | 2023-0630 |
| Compound Name: | 2-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-ol |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C24 H36 N4 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)CCO |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1855 |
| logD: | 4.0245 |
| logSw: | -4.2733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.951 |
| InChI Key: | UFWACGHASKRRJQ-QZGUCNERSA-N |