ethyl 4-[5-(butylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[5-(butylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
ethyl 4-[5-(butylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C620-0206 |
| Compound Name: | ethyl 4-[5-(butylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]piperazine-1-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.6155 |
| logD: | 5.6155 |
| logSw: | -5.6896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.762 |
| InChI Key: | VPBNYNSTFQGJMA-UHFFFAOYSA-N |