3-[(2,5-dimethylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
3-[(2,5-dimethylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6045 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H24 F3 N3 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2cccc(c2)C(F)(F)F)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2216 |
| logD: | 6.0758 |
| logSw: | -5.7312 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.4171 |
| InChI Key: | SEYZLNUADUHLHK-UHFFFAOYSA-N |