5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4940-1175 |
| Compound Name: | 5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-propyl-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 425.28 |
| Molecular Formula: | C21 H17 Br N2 O3 |
| Smiles: | CCCN1C(C(=C\c2ccc(c3ccc(cc3)[Br])o2)\C(C)=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8129 |
| logD: | 4.8129 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.001 |
| InChI Key: | GXCLSZRWZVVPOF-UHFFFAOYSA-N |