3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-9449 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 425.91 |
| Molecular Formula: | C22 H17 Cl F N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.9995 |
| logD: | 5.9995 |
| logSw: | -6.2007 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | LRENDJYTMHZTPK-UHFFFAOYSA-N |