4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8011-9073 |
| Compound Name: | 4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate |
| Molecular Weight: | 498.45 |
| Molecular Formula: | C23 H22 N4 O9 |
| Smiles: | CCOc1cc(cc(c1OC(N1CCOCC1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC2C=C(C)OC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4166 |
| logD: | 1.4166 |
| logSw: | -1.9729 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.858 |
| InChI Key: | VZRWXQXMZOHVRJ-GOSISDBHSA-N |