4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V013-7813 |
| Compound Name: | 4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C26 H20 F N5 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(c1ccc(CSc2nnc(c3ccncc3)n2c2ccc(cc2)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1397 |
| logD: | 4.1396 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.303 |
| InChI Key: | DZICQIXOWJEDDV-UHFFFAOYSA-N |