5-{[5-(4-chlorophenyl)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-chlorophenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4285-2743 |
| Compound Name: | 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 396.83 |
| Molecular Formula: | C21 H17 Cl N2 O4 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[Cl])o2)C(N(CCCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2642 |
| logD: | 3.2642 |
| logSw: | -3.6282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.657 |
| InChI Key: | NFLAMIBAVHAXIT-UHFFFAOYSA-N |