ethyl ({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C663-0376 |
| Compound Name: | ethyl ({5-[(4-methoxybenzamido)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCOC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1427 |
| logD: | 3.1427 |
| logSw: | -3.3852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.583 |
| InChI Key: | YNMRVKQDLUSLFL-UHFFFAOYSA-N |