N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 4265-2490 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 524.68 |
| Molecular Formula: | C28 H36 N4 O4 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(C)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7034 |
| logD: | 5.7034 |
| logSw: | -5.5719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.023 |
| InChI Key: | KKYKETVAZABVDI-IFDVCUOJSA-N |