ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9794 |
| Compound Name: | ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 501.94 |
| Molecular Formula: | C26 H25 Cl F N O6 |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(c(COc2ccc(c(c2)[Cl])F)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.257 |
| logD: | 4.257 |
| logSw: | -4.648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.158 |
| InChI Key: | ULKHVATVDQTYRV-JOCHJYFZSA-N |