ethyl 4-[5-(2,5-dimethylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-(2,5-dimethylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
ethyl 4-[5-(2,5-dimethylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C620-0644 |
| Compound Name: | ethyl 4-[5-(2,5-dimethylanilino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C29 H28 N4 O4 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4898 |
| logD: | 6.4898 |
| logSw: | -5.9738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.629 |
| InChI Key: | YPLWOBYRKWAEDJ-UHFFFAOYSA-N |