2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6716 |
| Compound Name: | 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C27 H25 F3 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)OC)OCc2cccc(c2)C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.364 |
| logD: | 4.364 |
| logSw: | -4.8893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.547 |
| InChI Key: | VOJOLCXPYUUJIP-HSZRJFAPSA-N |