2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-9373 |
| Compound Name: | 2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C19 H18 N2 O6 |
| Smiles: | COc1c(cc2c(c1OC)OCO2)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6991 |
| logD: | 1.6991 |
| logSw: | -2.1484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.836 |
| InChI Key: | AIGTYVKNSKRJSL-CQSZACIVSA-N |