3-[(3-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
3-[(3-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6019 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 413.89 |
| Molecular Formula: | C19 H19 Cl F3 N3 S |
| Smiles: | C1CN(Cc2cccc(c2)[Cl])CN(C1)C(Nc1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 5.6769 |
| logD: | 5.6213 |
| logSw: | -6.2046 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | BJIRHLGKAGRGDC-UHFFFAOYSA-N |