ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9741 |
| Compound Name: | ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CCOC(c1c2cc(ccc2oc1CSc1c(C#N)c(C)cc(C)n1)OC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0029 |
| logD: | 4.0029 |
| logSw: | -4.1048 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.778 |
| InChI Key: | MAEBDSNJDPNJRA-UHFFFAOYSA-N |