2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl morpholine-4-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl morpholine-4-carboxylate
2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | K638-0114 |
| Compound Name: | 2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl morpholine-4-carboxylate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C24 H19 N3 O6 |
| Smiles: | C1COCCN1C(=O)Oc1ccccc1C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1548 |
| logD: | 2.1548 |
| logSw: | -3.0646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.291 |
| InChI Key: | QBGDIGANPVRJRF-LJQANCHMSA-N |