2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0434 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 360.32 |
| Molecular Formula: | C20 H12 N2 O5 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4096 |
| logD: | 2.4096 |
| logSw: | -3.1917 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.815 |
| InChI Key: | ICSHLBYAACDPEA-MRXNPFEDSA-N |