3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-5423 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-(2-fluorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 444.36 |
| Molecular Formula: | C22 H16 Cl2 F N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2F)nnc1SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.929 |
| logD: | 6.929 |
| logSw: | -6.5882 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.4116 |
| InChI Key: | IETSMSWCSHISBM-UHFFFAOYSA-N |