2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0408 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C21 H16 N2 O5 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1ccc2c(c1)OCO2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6296 |
| logD: | 2.6296 |
| logSw: | -3.1254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.024 |
| InChI Key: | YZLYTWGSCOKGFJ-UHFFFAOYSA-N |