3-benzyl-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
3-benzyl-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V006-0756 |
| Compound Name: | 3-benzyl-5-{[(2-methoxyphenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole |
| Molecular Weight: | 455.5 |
| Molecular Formula: | C24 H20 F3 N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccccc1CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9525 |
| logD: | 5.9525 |
| logSw: | -5.8573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.319 |
| InChI Key: | LIRRJYXOMNKXPD-UHFFFAOYSA-N |