ethyl ({4-(2-ethyl-6-methylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-(2-ethyl-6-methylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({4-(2-ethyl-6-methylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | C663-0394 |
| Compound Name: | ethyl ({4-(2-ethyl-6-methylphenyl)-5-[(4-methoxybenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCc1cccc(C)c1n1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.029 |
| logD: | 4.029 |
| logSw: | -4.0345 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.746 |
| InChI Key: | FZOCUOLMUPJQIE-UHFFFAOYSA-N |