5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
Chemical Structure Depiction of
5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
Compound characteristics
| Compound ID: | 8012-8652 |
| Compound Name: | 5-{4-[4-(methylsulfanyl)benzene-1-sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline |
| Molecular Weight: | 512.65 |
| Molecular Formula: | C25 H28 N4 O4 S2 |
| Smiles: | CC(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(c1ccc(cc1)SC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3215 |
| logD: | 5.3215 |
| logSw: | -5.4064 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.99 |
| InChI Key: | VPRPNNZAJGXFGS-IBGZPJMESA-N |