N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 3610-1201 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C29 H38 N4 O4 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3118 |
| logD: | 6.3118 |
| logSw: | -5.621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.023 |
| InChI Key: | CSXHCGJWBFCUPP-KBJASICCSA-N |