3-(5-bromofuran-2-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(5-bromofuran-2-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(5-bromofuran-2-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6714 |
| Compound Name: | 3-(5-bromofuran-2-yl)-4-methyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 418.23 |
| Molecular Formula: | C15 H11 Br F3 N3 O S |
| Smiles: | Cn1c(c2ccc(o2)[Br])nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3755 |
| logD: | 4.3755 |
| logSw: | -4.439 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.977 |
| InChI Key: | XALRCJDCDGGRJR-UHFFFAOYSA-N |