methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | C663-0765 |
| Compound Name: | methyl 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C20 H20 F3 N5 O2 S2 |
| Smiles: | CC(C(=O)OC)Sc1nnc(CSc2nc(C)cc(C)n2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.111 |
| logD: | 4.1077 |
| logSw: | -4.3011 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.04 |
| InChI Key: | XKHVKCOKSZHXIG-ZDUSSCGKSA-N |