5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
Chemical Structure Depiction of
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
Compound characteristics
| Compound ID: | 8012-1137 |
| Compound Name: | 5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CC(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9173 |
| logD: | 2.9173 |
| logSw: | -3.6306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.754 |
| InChI Key: | UJXNTMKNABVJLC-HNNXBMFYSA-N |