methyl 2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
methyl 2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4338-1008 |
| Compound Name: | methyl 2-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 362.34 |
| Molecular Formula: | C20 H14 N2 O5 |
| Smiles: | CC1/C(=C/c2ccc(c3ccccc3C(=O)OC)o2)C(N=C(C=1C#N)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2846 |
| logD: | -5.0246 |
| logSw: | -2.5503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.847 |
| InChI Key: | NDTVRCQVPPUDKL-UHFFFAOYSA-N |