2-amino-4-{3-methoxy-4-[(2,4,6-trimethylphenyl)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-[(2,4,6-trimethylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-1418 |
| Compound Name: | 2-amino-4-{3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C29 H32 N2 O4 |
| Smiles: | Cc1cc(C)c(COc2ccc(cc2OC)C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0479 |
| logD: | 5.0479 |
| logSw: | -4.9336 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.547 |
| InChI Key: | OTTOAMFYDCEBFD-AREMUKBSSA-N |