4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl furan-2-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl furan-2-carboxylate
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl furan-2-carboxylate
Compound characteristics
| Compound ID: | 8012-0498 |
| Compound Name: | 4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl furan-2-carboxylate |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C21 H14 N2 O6 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)OC(c2ccco2)=O)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8697 |
| logD: | 1.8697 |
| logSw: | -2.0363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.845 |
| InChI Key: | RMXUALAAIXTJIT-QGZVFWFLSA-N |