N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 3819-1345 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(phenylmethanesulfonyl)piperazin-1-yl]aniline |
| Molecular Weight: | 501 |
| Molecular Formula: | C24 H25 Cl N4 O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1cc(ccc1[N+]([O-])=O)N1CCN(CC1)S(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3454 |
| logD: | 4.3454 |
| logSw: | -4.6373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.721 |
| InChI Key: | ROSGHXWCZTWGPS-UHFFFAOYSA-N |