2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0311 |
| Compound Name: | 2-amino-4-{3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 452.41 |
| Molecular Formula: | C24 H18 F2 N2 O5 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(COc3ccc(cc3F)F)c2)OC)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.128 |
| logD: | 3.128 |
| logSw: | -3.2913 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.833 |
| InChI Key: | MBPOMCSTRZUSQW-OAQYLSRUSA-N |