4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 5168-3725 |
| Compound Name: | 4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C23 H16 N2 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc4C(=O)OCc4c3)o2)C(N(CC=C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9295 |
| logD: | 2.9295 |
| logSw: | -3.2078 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.574 |
| InChI Key: | PYJSPNHHQFNFSO-UHFFFAOYSA-N |