ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 8007-1067 |
| Compound Name: | ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C28 H24 N2 O5 S |
| Smiles: | CCOC(c1c2cc(ccc2oc1CSc1c(C#N)c(C)c(CC(c2ccccc2)=O)c(C)n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2228 |
| logD: | 5.2154 |
| logSw: | -5.1009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.39 |
| InChI Key: | UMPVDKLBEPIBPK-UHFFFAOYSA-N |