4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V029-4996 |
| Compound Name: | 4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 578.58 |
| Molecular Formula: | C28 H24 F6 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(NCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3939 |
| logD: | 6.3934 |
| logSw: | -5.788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.397 |
| InChI Key: | VNLRBJFYGVURFH-UHFFFAOYSA-N |