5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 6056-0056 |
| Compound Name: | 5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(2-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CC(CN1C(C(=C\c2ccc(c3ccc(cc3)C(C)=O)o2)\C(C)=C(C#N)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2542 |
| logD: | 2.2542 |
| logSw: | -2.4888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.328 |
| InChI Key: | BERGNYPJZHEMTC-ZDUSSCGKSA-N |