N-[1-(adamantan-1-yl)ethyl]-5-(3,5-dimethylpiperazin-1-yl)-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-(3,5-dimethylpiperazin-1-yl)-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-(3,5-dimethylpiperazin-1-yl)-2-nitroaniline
Compound characteristics
| Compound ID: | 4265-2032 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-(3,5-dimethylpiperazin-1-yl)-2-nitroaniline |
| Molecular Weight: | 412.58 |
| Molecular Formula: | C24 H36 N4 O2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CC(C)NC(C)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4093 |
| logD: | 2.8224 |
| logSw: | -5.5281 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.912 |
| InChI Key: | KWHRYUWXQQAQKL-UHFFFAOYSA-N |