2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-7861 |
| Compound Name: | 2-amino-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | COc1cc(cc(c1O)OC)C1C(C#N)=C(N)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8639 |
| logD: | 0.863 |
| logSw: | -1.1847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.342 |
| InChI Key: | RLVNFFJUKITEDP-OAHLLOKOSA-N |