1-(3-hydroxypropyl)-4-methyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
1-(3-hydroxypropyl)-4-methyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
1-(3-hydroxypropyl)-4-methyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4285-2707 |
| Compound Name: | 1-(3-hydroxypropyl)-4-methyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 407.38 |
| Molecular Formula: | C21 H17 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)C(N(CCCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5951 |
| logD: | 2.5951 |
| logSw: | -2.6421 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.038 |
| InChI Key: | HICYUPYYKUZACF-UHFFFAOYSA-N |