3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chlorophenyl)methyl]-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chlorophenyl)methyl]-4-ethyl-4H-1,2,4-triazole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chlorophenyl)methyl]-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4215 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-[(4-chlorophenyl)methyl]-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 396.31 |
| Molecular Formula: | C18 H16 Cl2 F N3 S |
| Smiles: | CCn1c(Cc2ccc(cc2)[Cl])nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 5.5587 |
| logD: | 5.5587 |
| logSw: | -6.0728 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9417 |
| InChI Key: | KZELBXTZZLEFTN-UHFFFAOYSA-N |