2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
2-({[4-(4-fluorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V029-3793 |
| Compound Name: | 2-({[4-(4-fluorophenyl)-5-(pyridin-3-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(c1ccccc1CSc1nnc(c2cccnc2)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5494 |
| logD: | 4.5452 |
| logSw: | -4.1852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.915 |
| InChI Key: | BHYMYAGGCJHXQH-UHFFFAOYSA-N |