2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-9541 |
| Compound Name: | 2-[({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 548.59 |
| Molecular Formula: | C29 H23 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.625 |
| logD: | 6.6248 |
| logSw: | -6.3378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.851 |
| InChI Key: | YRIQDSOHJPHDML-UHFFFAOYSA-N |