5-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
Chemical Structure Depiction of
5-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
5-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione
Compound characteristics
| Compound ID: | 8019-0863 |
| Compound Name: | 5-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2-thione |
| Molecular Weight: | 425.47 |
| Molecular Formula: | C20 H22 F3 N3 O2 S |
| Smiles: | COc1ccc(CCN2CNC(N(C2)c2cccc(c2)C(F)(F)F)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0654 |
| logD: | 3.6521 |
| logSw: | -4.2058 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.172 |
| InChI Key: | KASXVUSPLHBTSV-UHFFFAOYSA-N |