5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(3-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-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 6056-0077 |
| Compound Name: | 5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)C(C)=O)o2)C(N(CCCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2115 |
| logD: | 2.2115 |
| logSw: | -2.2906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.484 |
| InChI Key: | NUYBPFKKHKEERW-UHFFFAOYSA-N |