2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C592-3898 |
| Compound Name: | 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C18 H17 F3 N6 O S2 |
| Smiles: | Cc1cc(C)nc(n1)SCc1nnc(n1c1cccc(c1)C(F)(F)F)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6149 |
| logD: | 2.6149 |
| logSw: | -2.897 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.254 |
| InChI Key: | BHIMQBOJINPHSE-UHFFFAOYSA-N |