N-{3-[4-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Chemical Structure Depiction of
N-{3-[4-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
N-{3-[4-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine
Compound characteristics
| Compound ID: | C090-0544 |
| Compound Name: | N-{3-[4-(ethoxycarbonyl)piperidin-1-yl]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl}-beta-alanine |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C25 H25 N3 O6 |
| Smiles: | CCOC(C1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6388 |
| logD: | 0.9688 |
| logSw: | -4.257 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.12 |
| InChI Key: | CPSWKELDHAXVMV-UHFFFAOYSA-N |