3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9143 |
| Compound Name: | 3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C21 H16 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CSc2nnc(c3ccco3)n2c2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8698 |
| logD: | 4.8697 |
| logSw: | -4.7599 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.835 |
| InChI Key: | REMDOKYKTHCHEJ-UHFFFAOYSA-N |