ethyl 3-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
ethyl 3-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0206 |
| Compound Name: | ethyl 3-{[6-oxo-3-(4-oxopiperidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C28 H23 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCC(CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9224 |
| logD: | 5.9224 |
| logSw: | -5.8448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.65 |
| InChI Key: | PPPLZKGUVYVAQC-UHFFFAOYSA-N |