2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | Y500-0332 |
Compound Name: | 2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 466.48 |
Molecular Formula: | C26 H24 F2 N2 O4 |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(COc3ccc(cc3F)F)c2)OC)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8423 |
logD: | 3.8423 |
logSw: | -4.3077 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.547 |
InChI Key: | XEANWRHJNBIMHI-HSZRJFAPSA-N |