methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-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}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1408 |
| Compound Name: | methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 542.43 |
| Molecular Formula: | C27 H28 Br N O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2ccc(c(COc3cccc(c3)[Br])c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5929 |
| logD: | 4.5929 |
| logSw: | -4.844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.578 |
| InChI Key: | MIQFOXRQRYVYGK-JOCHJYFZSA-N |