N-[(4-fluorophenyl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-9955 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[4-(2-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 513.57 |
| Molecular Formula: | C28 H21 F2 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9176 |
| logD: | 4.913 |
| logSw: | -4.6708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.343 |
| InChI Key: | YQUWBLJGQMJBPQ-UHFFFAOYSA-N |