[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-chlorophenyl)methanone
Chemical Structure Depiction of
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-chlorophenyl)methanone
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-chlorophenyl)methanone
Compound characteristics
| Compound ID: | 3159-1017 |
| Compound Name: | [4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-chlorophenyl)methanone |
| Molecular Weight: | 523.08 |
| Molecular Formula: | C29 H35 Cl N4 O3 |
| Smiles: | [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2117 |
| logD: | 6.2117 |
| logSw: | -6.3325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.961 |
| InChI Key: | NDDIJDFNYGSQHK-HFESIUDZSA-N |