3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V029-8274 |
| Compound Name: | 3-({[4-(2-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C25 H24 F N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nnc(c3ccncc3)n2c2ccccc2F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1907 |
| logD: | 4.1907 |
| logSw: | -4.1786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.525 |
| InChI Key: | NZERSDCOWDUZLQ-UHFFFAOYSA-N |