ethyl 5-(acetyloxy)-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7800 |
| Compound Name: | ethyl 5-(acetyloxy)-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | CCOC(c1c2cc(ccc2oc1CSc1c(C#N)c(C)c(C)c(C)n1)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.595 |
| logD: | 4.595 |
| logSw: | -4.5514 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.548 |
| InChI Key: | FFKQUBIIFNXLMG-UHFFFAOYSA-N |