2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | K638-0109 |
| Compound Name: | 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C21 H16 N2 O6 |
| Smiles: | COc1cc(cc(c1O)OC)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.559 |
| logD: | 1.5581 |
| logSw: | -2.224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.44 |
| InChI Key: | QBNQKFKLKRVKAE-MRXNPFEDSA-N |