2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl morpholine-4-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl morpholine-4-carboxylate
2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8012-0500 |
| Compound Name: | 2-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)phenyl morpholine-4-carboxylate |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C21 H19 N3 O6 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccccc2OC(N2CCOCC2)=O)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3454 |
| logD: | 1.3454 |
| logSw: | -1.7585 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.48 |
| InChI Key: | SZHXVXOCKSLHDI-QGZVFWFLSA-N |