methyl 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V011-1690 |
| Compound Name: | methyl 3-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C25 H20 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(Cc3ccccc3)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8332 |
| logD: | 5.8332 |
| logSw: | -5.7048 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.862 |
| InChI Key: | VQAZLHLLRIRHQU-UHFFFAOYSA-N |