methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0760 |
| Compound Name: | methyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 469.51 |
| Molecular Formula: | C19 H18 F3 N5 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.396 |
| logD: | 3.3943 |
| logSw: | -3.7726 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.445 |
| InChI Key: | AOWLLXUIHVIPDT-UHFFFAOYSA-N |