2-amino-4-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-3524 |
| Compound Name: | 2-amino-4-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 438.84 |
| Molecular Formula: | C23 H16 Cl F N2 O4 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cccc(c2)OCc2c(cccc2[Cl])F)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6892 |
| logD: | 3.6892 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.116 |
| InChI Key: | ZXAOPXMZDVHUMU-HXUWFJFHSA-N |