ethyl 4-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Chemical Structure Depiction of
ethyl 4-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
ethyl 4-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Compound characteristics
| Compound ID: | V031-3445 |
| Compound Name: | ethyl 4-({5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate |
| Molecular Weight: | 425.43 |
| Molecular Formula: | C19 H18 F3 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(CCCSc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2018 |
| logD: | 4.2018 |
| logSw: | -4.2555 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.721 |
| InChI Key: | JLIJQOOPMJEMKQ-UHFFFAOYSA-N |