2-amino-6-(hydroxymethyl)-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-(hydroxymethyl)-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
2-amino-6-(hydroxymethyl)-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-9059 |
| Compound Name: | 2-amino-6-(hydroxymethyl)-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile |
| Molecular Weight: | 370.32 |
| Molecular Formula: | C18 H14 N2 O7 |
| Smiles: | COc1cc(cc2c1OCO2)C1C(C#N)=C(N)OC2=C1OC(CO)=CC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7636 |
| logD: | 0.7636 |
| logSw: | -1.2246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.14 |
| InChI Key: | LTQXRUKEYPHEQW-CQSZACIVSA-N |