3-benzyl-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
3-benzyl-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V007-5975 |
| Compound Name: | 3-benzyl-4-(2-methoxyphenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C24 H20 F3 N3 O S |
| Smiles: | COc1ccccc1n1c(Cc2ccccc2)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5561 |
| logD: | 5.5561 |
| logSw: | -5.6677 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.018 |
| InChI Key: | BQZZZGQJIAYJPU-UHFFFAOYSA-N |