ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0164 |
| Compound Name: | ethyl 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 307.78 |
| Molecular Formula: | C15 H17 N3 O2 |
| Salt: | HCl |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 2.8996 |
| logSw: | -3.4524 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.462 |
| InChI Key: | VBIBVAUJEULAIF-UHFFFAOYSA-N |