3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9222 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 435.85 |
| Molecular Formula: | C20 H13 Cl F3 N3 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nnc(c2ccco2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.4821 |
| logD: | 5.4821 |
| logSw: | -6.3001 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.291 |
| InChI Key: | YOGITMSASCYQFO-UHFFFAOYSA-N |