ethyl 1-[3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | C326-0424 |
| Compound Name: | ethyl 1-[3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 542.43 |
| Molecular Formula: | C26 H28 Br N3 O5 |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[Br])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0561 |
| logD: | 4.0561 |
| logSw: | -4.0902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.412 |
| InChI Key: | BQYFJSKSFWSXAZ-UHFFFAOYSA-N |