ethyl 5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
ethyl 5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4338-1035 |
| Compound Name: | ethyl 5-bromo-2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 455.26 |
| Molecular Formula: | C21 H15 Br N2 O5 |
| Smiles: | CCOC(c1cc(ccc1c1ccc(/C=C2/C(C)=C(C#N)C(=NC2=O)O)o1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0838 |
| logD: | -3.2254 |
| logSw: | -4.134 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.427 |
| InChI Key: | ZYJIZELRGYIMAZ-UHFFFAOYSA-N |