methyl 5-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
methyl 5-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | V017-3095 |
| Compound Name: | methyl 5-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]furan-2-carboxylate |
| Molecular Weight: | 460.43 |
| Molecular Formula: | C21 H15 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)C(F)(F)F)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1923 |
| logD: | 4.1881 |
| logSw: | -4.1958 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.246 |
| InChI Key: | SXUGPMIYQOBCHO-UHFFFAOYSA-N |