ethyl 4-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
ethyl 4-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C090-0026 |
| Compound Name: | ethyl 4-{5-[3-(ethoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate |
| Molecular Weight: | 540.58 |
| Molecular Formula: | C30 H28 N4 O6 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0233 |
| logD: | 7.0233 |
| logSw: | -6.0338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.081 |
| InChI Key: | NBIHUVTYLAHRDL-UHFFFAOYSA-N |