4-(methoxymethyl)-6-methyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4-(methoxymethyl)-6-methyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile
4-(methoxymethyl)-6-methyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7647 |
| Compound Name: | 4-(methoxymethyl)-6-methyl-2-{[(5,6,7-triethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C24 H28 N2 O6 S |
| Smiles: | CCOc1c2COC(c2c(CSc2c(C#N)c(COC)cc(C)n2)c(c1OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3138 |
| logD: | 4.3138 |
| logSw: | -4.3798 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.464 |
| InChI Key: | NGDCFCIQMSKGGI-UHFFFAOYSA-N |