1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-one
1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4376-0323 |
| Compound Name: | 1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C24 H34 N4 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4679 |
| logD: | 4.4679 |
| logSw: | -4.443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.7 |
| InChI Key: | VJRUFQJLUFPNAE-QNHAZURESA-N |