N-benzyl-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-benzyl-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
N-benzyl-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 3819-1315 |
| Compound Name: | N-benzyl-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | C(c1ccccc1)Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7507 |
| logD: | 3.7507 |
| logSw: | -4.131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.721 |
| InChI Key: | QWIPMSANQZJSKJ-UHFFFAOYSA-N |