4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8012-0191 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate |
| Molecular Weight: | 534.48 |
| Molecular Formula: | C26 H22 N4 O9 |
| Smiles: | CCOc1cc(cc(c1OC(N1CCOCC1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2259 |
| logD: | 2.2259 |
| logSw: | -3.1676 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.669 |
| InChI Key: | WDGMRCXCIQOZTK-HXUWFJFHSA-N |