[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](phenyl)methanone
Chemical Structure Depiction of
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](phenyl)methanone
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 4541-1796 |
| Compound Name: | [4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](phenyl)methanone |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C29 H36 N4 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5119 |
| logD: | 5.5119 |
| logSw: | -5.5615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.961 |
| InChI Key: | JMGNUSVWCVKFEV-BITABPLHSA-N |