2-amino-7-hydroxy-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1267 |
| Compound Name: | 2-amino-7-hydroxy-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | Cc1ccc(COc2ccc(cc2OC)C2C(C#N)=C(N)Oc3cc(ccc23)O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8766 |
| logD: | 3.8763 |
| logSw: | -4.2777 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.855 |
| InChI Key: | KJOQDGLMNALKCX-XMMPIXPASA-N |