3-(4-methoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-(4-methoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V005-6184 |
| Compound Name: | 3-(4-methoxyphenyl)-4-phenyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C23 H18 F3 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.0072 |
| logD: | 6.0072 |
| logSw: | -5.8556 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | KDRCBLVIMGHDPK-UHFFFAOYSA-N |