2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3931-3432 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc3c(c2)OCO3)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6002 |
| logD: | 1.6002 |
| logSw: | -1.9978 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.004 |
| InChI Key: | VYTYKAXFCRPOLC-CQSZACIVSA-N |