2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | V029-3829 |
| Compound Name: | 2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide |
| Molecular Weight: | 563.58 |
| Molecular Formula: | C29 H21 F4 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)C(F)(F)F)NC(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7628 |
| logD: | 5.7584 |
| logSw: | -5.9431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.644 |
| InChI Key: | BMPDGOMFTJNAMJ-UHFFFAOYSA-N |