ethyl 5-(2-methyl-5-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
ethyl 5-(2-methyl-5-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
ethyl 5-(2-methyl-5-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
| Compound ID: | 8014-9727 |
| Compound Name: | ethyl 5-(2-methyl-5-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CCOC(C1C(CC(=CC1=O)Nc1cc(ccc1C)[N+]([O-])=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1692 |
| logD: | 3.3326 |
| logSw: | -4.2578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.33 |
| InChI Key: | IMFKAJVJQYZBAB-UHFFFAOYSA-N |