butyl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
butyl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4338-1016 |
| Compound Name: | butyl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | CCCCOC(c1cccc(c1)c1ccc(\C=C2/C(C)=C(C#N)C(=NC2=O)O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1964 |
| logD: | -3.1128 |
| logSw: | -4.1648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.721 |
| InChI Key: | KRNKCECDWFCDHV-UHFFFAOYSA-N |