methyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
methyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0161 |
| Compound Name: | methyl 3-[(6-phenylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C18 H15 N3 O2 |
| Salt: | HCl |
| Smiles: | COC(c1cccc(c1)Nc1cc(c2ccccc2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6009 |
| logD: | 4.5057 |
| logSw: | -4.4594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.43 |
| InChI Key: | GEKUDNXPZFTOES-UHFFFAOYSA-N |