2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V027-9529 |
| Compound Name: | 2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 526.58 |
| Molecular Formula: | C27 H25 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccccc1CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3672 |
| logD: | 5.3672 |
| logSw: | -5.5419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.557 |
| InChI Key: | BYLSXOBXNTVLQX-UHFFFAOYSA-N |