2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-2158 |
| Compound Name: | 2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C27 H27 F N2 O3 |
| Smiles: | Cc1c(C)c(C2C(C#N)=C(N)OC3CCCC(C2=3)=O)c(C)c(C)c1COc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0998 |
| logD: | 5.0998 |
| logSw: | -5.013 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.83 |
| InChI Key: | QIAPZOVHNWPTCO-VWLOTQADSA-N |