N-[1-(adamantan-1-yl)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline
Compound characteristics
| Compound ID: | 4327-0767 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C23 H34 N4 O2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6437 |
| logD: | 4.0757 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.981 |
| InChI Key: | OTXPFTWCIBMJHF-LXGFQCHUSA-N |