methyl 2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V004-7449 |
| Compound Name: | methyl 2-[({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C22 H16 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1CSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1947 |
| logD: | 5.1947 |
| logSw: | -5.1844 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.465 |
| InChI Key: | BBPDFEVCCFECIS-UHFFFAOYSA-N |