3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y207-4216 |
| Compound Name: | 3-benzyl-5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 361.87 |
| Molecular Formula: | C18 H17 Cl F N3 S |
| Smiles: | CCn1c(Cc2ccccc2)nnc1SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.964 |
| logD: | 4.964 |
| logSw: | -5.2301 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.9417 |
| InChI Key: | IMJOSXGSABFDHR-UHFFFAOYSA-N |