methyl 5-(2,5-dimethoxyanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
methyl 5-(2,5-dimethoxyanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
methyl 5-(2,5-dimethoxyanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
Compound ID: | 8014-9740 |
Compound Name: | methyl 5-(2,5-dimethoxyanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
Molecular Weight: | 381.43 |
Molecular Formula: | C22 H23 N O5 |
Smiles: | COC(C1C(CC(=CC1=O)Nc1cc(ccc1OC)OC)c1ccccc1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6513 |
logD: | 3.1525 |
logSw: | -3.9419 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.543 |
InChI Key: | WHEMSCCUAMVRDZ-UHFFFAOYSA-N |