N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | K940-0366 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 506.89 |
| Molecular Formula: | C19 H18 Cl F3 N4 O5 S |
| Smiles: | C1CN(CCN1CC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8369 |
| logD: | 3.7842 |
| logSw: | -4.3698 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.323 |
| InChI Key: | PYQNPYPMKOGDID-UHFFFAOYSA-N |