3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid
3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4358-4606 |
| Compound Name: | 3-{[2-(4-nitrophenyl)quinazolin-4-yl]amino}benzoic acid |
| Molecular Weight: | 386.37 |
| Molecular Formula: | C21 H14 N4 O4 |
| Smiles: | c1ccc2c(c1)c(Nc1cccc(c1)C(O)=O)nc(c1ccc(cc1)[N+]([O-])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.0703 |
| logD: | 2.7759 |
| logSw: | -6.0179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.595 |
| InChI Key: | XABCJWMRBGTYME-UHFFFAOYSA-N |