methyl (1-{3-[(pyrimidin-2-yl)amino]benzoyl}piperidin-4-yl)acetate
Chemical Structure Depiction of
methyl (1-{3-[(pyrimidin-2-yl)amino]benzoyl}piperidin-4-yl)acetate
methyl (1-{3-[(pyrimidin-2-yl)amino]benzoyl}piperidin-4-yl)acetate
Compound characteristics
| Compound ID: | Y041-7285 |
| Compound Name: | methyl (1-{3-[(pyrimidin-2-yl)amino]benzoyl}piperidin-4-yl)acetate |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | COC(CC1CCN(CC1)C(c1cccc(c1)Nc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8616 |
| logD: | 1.8616 |
| logSw: | -2.4816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.948 |
| InChI Key: | JUQHXBLRCSYPLJ-UHFFFAOYSA-N |