methyl [4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenoxy]acetate
Chemical Structure Depiction of
methyl [4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenoxy]acetate
methyl [4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenoxy]acetate
Compound characteristics
| Compound ID: | 8012-4525 |
| Compound Name: | methyl [4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenoxy]acetate |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C24 H20 Cl N3 O3 S |
| Smiles: | COC(COc1ccc(CSc2nnc(c3ccc(cc3)[Cl])n2c2ccccc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8345 |
| logD: | 4.8345 |
| logSw: | -4.9607 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.791 |
| InChI Key: | GRXKLVJEWWYKRI-UHFFFAOYSA-N |