5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4995-0103 |
| Compound Name: | 5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C23 H19 N3 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3cc(C)c(C)cc3[N+]([O-])=O)o2)C(N(CC=C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2888 |
| logD: | 4.2888 |
| logSw: | -4.5189 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.082 |
| InChI Key: | MAYLSZKWOBYPLJ-UHFFFAOYSA-N |