2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-9374 |
| Compound Name: | 2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 400.34 |
| Molecular Formula: | C19 H16 N2 O8 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(C#N)=C(N)OC2=C1OC(CO)=CC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6563 |
| logD: | 0.6563 |
| logSw: | -1.1692 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.944 |
| InChI Key: | JBMWJRPVJKAFLP-CYBMUJFWSA-N |