methyl 4'-methoxy-5-(4-methoxy-2-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
methyl 4'-methoxy-5-(4-methoxy-2-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
methyl 4'-methoxy-5-(4-methoxy-2-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
| Compound ID: | 8014-9729 |
| Compound Name: | methyl 4'-methoxy-5-(4-methoxy-2-nitroanilino)-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
| Molecular Weight: | 426.42 |
| Molecular Formula: | C22 H22 N2 O7 |
| Smiles: | COC(C1C(CC(=CC1=O)Nc1ccc(cc1[N+]([O-])=O)OC)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0905 |
| logD: | 2.0016 |
| logSw: | -4.3697 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.537 |
| InChI Key: | CGPVEQLKXPLWBV-UHFFFAOYSA-N |