4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid--hydrogen chloride (1/1)
4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0137 |
| Compound Name: | 4-[(6-phenylpyrimidin-4-yl)amino]benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C17 H13 N3 O2 |
| Salt: | HCl |
| Smiles: | c1ccc(cc1)c1cc(Nc2ccc(cc2)C(O)=O)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1777 |
| logD: | 1.7825 |
| logSw: | -4.4019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.665 |
| InChI Key: | IBTKKAWZAUACSX-UHFFFAOYSA-N |