methyl 2-amino-4-{3-[(4-bromo-2-chlorophenoxy)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-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
methyl 2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0242 |
| Compound Name: | methyl 2-amino-4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate |
| Molecular Weight: | 576.87 |
| Molecular Formula: | C27 H27 Br Cl N O6 |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)O2)C(=O)OC)c2ccc(c(COc3ccc(cc3[Cl])[Br])c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9933 |
| logD: | 4.9933 |
| logSw: | -5.222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.664 |
| InChI Key: | QISIUGIBVMXUSU-JOCHJYFZSA-N |