ethyl 4-{5-[4-(methoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{5-[4-(methoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
ethyl 4-{5-[4-(methoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C090-0036 |
| Compound Name: | ethyl 4-{5-[4-(methoxycarbonyl)anilino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperazine-1-carboxylate |
| Molecular Weight: | 526.55 |
| Molecular Formula: | C29 H26 N4 O6 |
| Smiles: | CCOC(N1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.332 |
| logD: | 6.332 |
| logSw: | -5.8756 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.501 |
| InChI Key: | KYRQQQRNGTYLLR-UHFFFAOYSA-N |