ethyl 1-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-3-carboxylate
ethyl 1-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C090-0254 |
| Compound Name: | ethyl 1-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-3-carboxylate |
| Molecular Weight: | 539.59 |
| Molecular Formula: | C31 H29 N3 O6 |
| Smiles: | CCOC(C1CCCN(C1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cccc(c1)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2183 |
| logD: | 7.2183 |
| logSw: | -5.9182 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.988 |
| InChI Key: | LQVYNEWDUIJOJB-IBGZPJMESA-N |