2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide
2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-6201 |
| Compound Name: | 2-[({5-(4-methylphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C30 H24 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3083 |
| logD: | 6.3049 |
| logSw: | -5.5883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.554 |
| InChI Key: | OBSUVOJHGHQMIF-UHFFFAOYSA-N |