methyl 2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
methyl 2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4338-1166 |
| Compound Name: | methyl 2-{5-[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C21 H16 N2 O5 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(=O)OC)o2)C(N(C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4975 |
| logD: | 2.4975 |
| logSw: | -2.6216 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.963 |
| InChI Key: | RBDCCMGQKBBQIF-UHFFFAOYSA-N |