methyl ({4-(2-methoxyphenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({4-(2-methoxyphenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
methyl ({4-(2-methoxyphenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C663-0433 |
| Compound Name: | methyl ({4-(2-methoxyphenyl)-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | COC(CSc1nnc(CNC(Cc2ccccc2)=O)n1c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.876 |
| logD: | 1.876 |
| logSw: | -2.2068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.34 |
| InChI Key: | ILHZJDDJXVLGTK-UHFFFAOYSA-N |