2,4-diamino-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-8-hydroxy-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-8-hydroxy-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
2,4-diamino-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-8-hydroxy-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-6803 |
| Compound Name: | 2,4-diamino-5-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-8-hydroxy-5H-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1c2ccc(cc2Oc2c1c(c(C#N)c(N)n2)N)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5168 |
| logD: | 2.4933 |
| logSw: | -2.8074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 123.305 |
| InChI Key: | YRCYRHKVUCZTMQ-OAHLLOKOSA-N |