3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C200-2983 |
| Compound Name: | 3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 403.23 |
| Molecular Formula: | C18 H15 Br N2 O4 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1025 |
| logD: | 1.4172 |
| logSw: | -4.3834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.485 |
| InChI Key: | QIGOPTFSXXLNFF-UHFFFAOYSA-N |