methyl ({5-[1-(3-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({5-[1-(3-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({5-[1-(3-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y205-7482 |
| Compound Name: | methyl ({5-[1-(3-chlorophenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 341.81 |
| Molecular Formula: | C14 H16 Cl N3 O3 S |
| Smiles: | CC(c1nnc(n1C)SCC(=O)OC)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.711 |
| logD: | 2.711 |
| logSw: | -3.2911 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.69 |
| InChI Key: | OCFFBZPIGIHFQI-VIFPVBQESA-N |