4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 4838-0033 |
Compound Name: | 4-methyl-2,6-dioxo-5-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-1-(2-phenylethyl)-1,2,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 464.48 |
Molecular Formula: | C28 H20 N2 O5 |
Smiles: | CC1/C(=C\c2ccc(c3ccc4C(=O)OCc4c3)o2)C(N(CCc2ccccc2)C(C=1C#N)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1428 |
logD: | 4.1428 |
logSw: | -4.3572 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 76.302 |
InChI Key: | GCDQSKACAQHQTP-UHFFFAOYSA-N |