2-amino-7-(furan-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-(furan-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7-(furan-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0120 |
| Compound Name: | 2-amino-7-(furan-2-yl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | COc1cc(cc(c1O)OC)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.779 |
| logD: | 1.7781 |
| logSw: | -2.1951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.649 |
| InChI Key: | NQIKWBPQBQNUEK-UHFFFAOYSA-N |