ethyl ({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C663-0362 |
| Compound Name: | ethyl ({4-(2,6-diethylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCc1cccc(CC)c1n1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.5866 |
| logD: | 4.5866 |
| logSw: | -4.2747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.746 |
| InChI Key: | ACLPNYRDFMOPCR-UHFFFAOYSA-N |