2-amino-4-{3-[(4-fluorophenoxy)methyl]-2,4,6-trimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(4-fluorophenoxy)methyl]-2,4,6-trimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-[(4-fluorophenoxy)methyl]-2,4,6-trimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-1420 |
| Compound Name: | 2-amino-4-{3-[(4-fluorophenoxy)methyl]-2,4,6-trimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C28 H29 F N2 O3 |
| Smiles: | Cc1cc(C)c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(C)c1COc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3227 |
| logD: | 5.3227 |
| logSw: | -5.3532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.83 |
| InChI Key: | JUJSASWECMKFLD-VWLOTQADSA-N |