2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6718 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | Cc1ccc(COc2ccc(cc2OC)C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9807 |
| logD: | 3.9807 |
| logSw: | -4.4656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.547 |
| InChI Key: | ALHOJHULCNDBIA-XMMPIXPASA-N |