N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 4327-0177 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-nitro-5-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C28 H35 N5 O6 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7488 |
| logD: | 5.7488 |
| logSw: | -5.6175 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.405 |
| InChI Key: | TWSIHHOLEDLUNX-ZBBKGZSWSA-N |