methyl 2-(4-oxo-4-{2-oxo-2-[(pyrimidin-2-yl)amino]ethoxy}butanamido)benzoate
Chemical Structure Depiction of
methyl 2-(4-oxo-4-{2-oxo-2-[(pyrimidin-2-yl)amino]ethoxy}butanamido)benzoate
methyl 2-(4-oxo-4-{2-oxo-2-[(pyrimidin-2-yl)amino]ethoxy}butanamido)benzoate
Compound characteristics
| Compound ID: | Y504-5815 |
| Compound Name: | methyl 2-(4-oxo-4-{2-oxo-2-[(pyrimidin-2-yl)amino]ethoxy}butanamido)benzoate |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C18 H18 N4 O6 |
| Smiles: | COC(c1ccccc1NC(CCC(=O)OCC(Nc1ncccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2958 |
| logD: | 0.2657 |
| logSw: | -2.0577 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.845 |
| InChI Key: | RPANHISXBFBPSU-UHFFFAOYSA-N |