3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1073 |
| Compound Name: | 3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 378.32 |
| Molecular Formula: | C18 H17 Cl2 N3 S |
| Smiles: | Cn1c(CCc2ccccc2)nnc1SCc1c(cccc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2461 |
| logD: | 5.2461 |
| logSw: | -5.8332 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.027 |
| InChI Key: | LBDHCFGEJMHSFA-UHFFFAOYSA-N |