3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-1140 |
| Compound Name: | 3-(furan-2-yl)-4-(2-methoxyphenyl)-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 431.43 |
| Molecular Formula: | C21 H16 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccco2)nnc1SCc1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.7111 |
| logD: | 4.7109 |
| logSw: | -4.4728 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.62 |
| InChI Key: | MXDGYQHNEXCRIR-UHFFFAOYSA-N |