2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-6718 |
| Compound Name: | 2-({[4-(4-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C28 H24 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cccnc2)nnc1SCc1ccccc1C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0019 |
| logD: | 3.9976 |
| logSw: | -3.9447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.072 |
| InChI Key: | WGQZBFDGDGIKIC-UHFFFAOYSA-N |