2-nitro-N-(2-phenylethyl)-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
2-nitro-N-(2-phenylethyl)-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
2-nitro-N-(2-phenylethyl)-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 3819-1317 |
| Compound Name: | 2-nitro-N-(2-phenylethyl)-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | C(CNc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(Cc1ccccc1)(=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | 3.97 |
| logSw: | -4.2415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.563 |
| InChI Key: | VXFZJUOMCLZHRC-UHFFFAOYSA-N |