ethyl [(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
ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
ethyl [(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: | C663-0761 |
| Compound Name: | ethyl [(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C20 H20 F3 N5 O2 S2 |
| Smiles: | CCOC(CSc1nnc(CSc2nc(C)cc(C)n2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9871 |
| logD: | 3.9854 |
| logSw: | -4.0042 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.025 |
| InChI Key: | IBXQDTHOHYLPCW-UHFFFAOYSA-N |