butyl 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
butyl 3-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzoate
butyl 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: | 4995-0270 |
| Compound Name: | butyl 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: | 448.47 |
| Molecular Formula: | C25 H24 N2 O6 |
| Smiles: | CCCCOC(c1cccc(c1)c1ccc(/C=C2/C(C)=C(C#N)C(N(CCO)C2=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8396 |
| logD: | 3.8396 |
| logSw: | -3.9097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.705 |
| InChI Key: | HQMKGBYHVDYFBP-UHFFFAOYSA-N |