methyl [(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
methyl [(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C663-0725 |
| Compound Name: | methyl [(5-{[(pyrimidin-2-yl)sulfanyl]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate |
| Molecular Weight: | 441.45 |
| Molecular Formula: | C17 H14 F3 N5 O2 S2 |
| Smiles: | COC(CSc1nnc(CSc2ncccn2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.644 |
| logD: | 2.6423 |
| logSw: | -2.8816 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.697 |
| InChI Key: | TVDMTRQOJIRJSM-UHFFFAOYSA-N |