[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-tert-butylphenyl)methanone
Chemical Structure Depiction of
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-tert-butylphenyl)methanone
[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-tert-butylphenyl)methanone
Compound characteristics
| Compound ID: | 4376-0329 |
| Compound Name: | [4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl](4-tert-butylphenyl)methanone |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C33 H44 N4 O3 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4114 |
| logD: | 7.4114 |
| logSw: | -5.5993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.961 |
| InChI Key: | GKIOLGDHUXLMRI-HAMILOMTSA-N |