5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline
Chemical Structure Depiction of
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline
5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline
Compound characteristics
| Compound ID: | 3819-1324 |
| Compound Name: | 5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6856 |
| logD: | 2.6856 |
| logSw: | -3.3017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.433 |
| InChI Key: | IXBKKSMQRGIQIY-UHFFFAOYSA-N |