methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate
methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate
Compound characteristics
| Compound ID: | 1456-0014 |
| Compound Name: | methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate |
| Molecular Weight: | 368.3 |
| Molecular Formula: | C17 H12 N4 O6 |
| Smiles: | COC(c1ccc(cc1)Nc1c(cc(c2cccnc12)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4133 |
| logD: | 3.4133 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.623 |
| InChI Key: | TYMUHWYHFSHZAF-UHFFFAOYSA-N |