diethyl 5-anilino-4'-bromo-3-hydroxy-3-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-2,6-dicarboxylate
Chemical Structure Depiction of
diethyl 5-anilino-4'-bromo-3-hydroxy-3-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-2,6-dicarboxylate
diethyl 5-anilino-4'-bromo-3-hydroxy-3-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-2,6-dicarboxylate
Compound characteristics
| Compound ID: | 3141-0419 |
| Compound Name: | diethyl 5-anilino-4'-bromo-3-hydroxy-3-methyl-1,2,3,4-tetrahydro[1,1'-biphenyl]-2,6-dicarboxylate |
| Molecular Weight: | 502.4 |
| Molecular Formula: | C25 H28 Br N O5 |
| Smiles: | CCOC(C1C(C(=C(CC1(C)O)Nc1ccccc1)C(=O)OCC)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2765 |
| logD: | 5.2636 |
| logSw: | -5.1678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.713 |
| InChI Key: | HWJSXQRKMJTQQU-UHFFFAOYSA-N |