4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V028-1948 |
| Compound Name: | 4-({[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 519 |
| Molecular Formula: | C27 H20 Cl F N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccco1)NC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2c2ccccc2F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5448 |
| logD: | 5.5448 |
| logSw: | -5.7444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.574 |
| InChI Key: | QZFRDOYAIUECKD-UHFFFAOYSA-N |