methyl 3-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
methyl 3-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
methyl 3-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 4285-2730 |
| Compound Name: | methyl 3-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 406.39 |
| Molecular Formula: | C22 H18 N2 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3cccc(c3)C(=O)OC)o2)C(N(CCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3442 |
| logD: | 2.3442 |
| logSw: | -2.4027 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.831 |
| InChI Key: | ADOFZHKWTWWNCD-UHFFFAOYSA-N |