1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4838-0124 |
| Compound Name: | 1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C22 H16 N2 O6 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4C(=O)OCc4c3)o2)C(N(CCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6599 |
| logD: | 1.6599 |
| logSw: | -2.4112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.229 |
| InChI Key: | SCEDUBRTYYDOGZ-UHFFFAOYSA-N |