methyl 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
methyl 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | 4358-4600 |
| Compound Name: | methyl 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoate |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C22 H16 N4 O4 |
| Smiles: | COC(c1cccc(c1)Nc1c2ccccc2nc(c2ccc(cc2)[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2177 |
| logD: | 6.1591 |
| logSw: | -5.9898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.361 |
| InChI Key: | UPBAXBXZNUMTHE-UHFFFAOYSA-N |