N-[1-(adamantan-1-yl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline
N-[1-(adamantan-1-yl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 3819-1354 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-5-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 574.74 |
| Molecular Formula: | C32 H38 N4 O4 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc2ccccc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.007 |
| logD: | 7.007 |
| logSw: | -6.622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.752 |
| InChI Key: | FPZBTYFOFVBFQI-KMRWNETISA-N |