2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8013-5764 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C21 H16 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1114 |
| logD: | 2.1114 |
| logSw: | -3.0368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.961 |
| InChI Key: | ZURZUEVTMFHGFH-QGZVFWFLSA-N |