methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0244 |
| Compound Name: | methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 514.37 |
| Molecular Formula: | C25 H24 Br N O6 |
| Smiles: | COC(C1C(C2=C(CCCC2=O)OC=1N)c1ccc(c(COc2cccc(c2)[Br])c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9928 |
| logD: | 3.9928 |
| logSw: | -4.463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.578 |
| InChI Key: | OEKMISGXZVMBOC-OAQYLSRUSA-N |