propan-2-yl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
propan-2-yl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
propan-2-yl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4338-1063 |
| Compound Name: | propan-2-yl 3-{5-[(5-cyano-6-hydroxy-4-methyl-2-oxopyridin-3(2H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 390.39 |
| Molecular Formula: | C22 H18 N2 O5 |
| Smiles: | CC(C)OC(c1cccc(c1)c1ccc(/C=C2/C(C)=C(C#N)C(=NC2=O)O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3059 |
| logD: | -4.0032 |
| logSw: | -3.3623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.106 |
| InChI Key: | VKNJMWNLQCXWFJ-UHFFFAOYSA-N |