3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-3538 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 399.87 |
| Molecular Formula: | C20 H15 Cl F N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccco2)nnc1SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.4472 |
| logD: | 5.4472 |
| logSw: | -5.9013 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.99 |
| InChI Key: | LNHDZSCEZBXNQL-UHFFFAOYSA-N |