2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-8466 |
| Compound Name: | 2-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 501.99 |
| Molecular Formula: | C26 H20 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(c1ccccc1CSc1nnc(c2ccncc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.526 |
| logD: | 5.5257 |
| logSw: | -5.9934 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.303 |
| InChI Key: | HBXKIOUKZBKVAC-UHFFFAOYSA-N |