N-[1-(adamantan-1-yl)ethyl]-5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8013-4807 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-[4-(ethanesulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C24 H36 N4 O4 S |
| Smiles: | CCS(N1CCN(CC1)c1ccc(c(c1)NC(C)C12CC3CC(CC(C3)C2)C1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5234 |
| logD: | 4.5234 |
| logSw: | -4.3906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.189 |
| InChI Key: | NOCIFRGXWATNRL-QZGUCNERSA-N |