3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V008-0971 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 460.36 |
| Molecular Formula: | C22 H16 Cl2 F N3 O S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccc(cc2)F)nnc1SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7182 |
| logD: | 6.7182 |
| logSw: | -6.7029 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.256 |
| InChI Key: | WXIHXECRWCHMMG-UHFFFAOYSA-N |