N-[(4-chlorophenyl)methyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
N-[(4-chlorophenyl)methyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | 8011-8392 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-5-[4-(methanesulfonyl)piperazin-1-yl]-2-nitroaniline |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C18 H21 Cl N4 O4 S |
| Smiles: | CS(N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)[Cl])[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.061 |
| logD: | 3.061 |
| logSw: | -3.7115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.591 |
| InChI Key: | OHJPWGPMXDFSLK-UHFFFAOYSA-N |