3-{[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino}benzoic acid
Chemical Structure Depiction of
3-{[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino}benzoic acid
3-{[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | 4358-1606 |
| Compound Name: | 3-{[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino}benzoic acid |
| Molecular Weight: | 446.72 |
| Molecular Formula: | C21 H13 Cl2 N3 O2 |
| Salt: | HCl |
| Smiles: | c1ccc2c(c1)c(Nc1cccc(c1)C(O)=O)nc(c1ccc(cc1[Cl])[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 6.456 |
| logD: | 3.1617 |
| logSw: | -6.098 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.213 |
| InChI Key: | ZGXWIUMPEVPIHR-UHFFFAOYSA-N |