N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 8012-6912 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide |
| Molecular Weight: | 512.86 |
| Molecular Formula: | C19 H15 Cl F6 N4 O2 S |
| Smiles: | C1CN(CCN1C(Nc1cc(ccc1[Cl])C(F)(F)F)=S)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.1977 |
| logD: | 6.1975 |
| logSw: | -6.5457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.479 |
| InChI Key: | XSMHEQLRUOPJJF-UHFFFAOYSA-N |