1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]-3-methylbutan-1-one
1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | 8014-2955 |
| Compound Name: | 1-[4-(3-{[1-(adamantan-1-yl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C27 H40 N4 O3 |
| Smiles: | CC(C)CC(N1CCN(CC1)c1ccc(c(c1)NC(C)C12CC3CC(CC(C3)C2)C1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.578 |
| logD: | 5.578 |
| logSw: | -5.4634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.705 |
| InChI Key: | RFOBAJWPYMBAJC-MQAYZUIZSA-N |