ethyl 1-{5-[(2H-1,3-benzodioxol-5-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{5-[(2H-1,3-benzodioxol-5-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-4-carboxylate
ethyl 1-{5-[(2H-1,3-benzodioxol-5-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C090-0019 |
| Compound Name: | ethyl 1-{5-[(2H-1,3-benzodioxol-5-yl)amino]-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl}piperidine-4-carboxylate |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C29 H25 N3 O6 |
| Smiles: | CCOC(C1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4492 |
| logD: | 6.4492 |
| logSw: | -5.9505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.416 |
| InChI Key: | YOJNNSQAVQIYQS-UHFFFAOYSA-N |