4-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
4-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
4-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C269-0364 |
| Compound Name: | 4-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C19 H18 N2 O4 |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=O)c1ccc(cc1)C(O)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6295 |
| logD: | 1.2343 |
| logSw: | -3.867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.485 |
| InChI Key: | QBDRKRZXIOFEBR-UHFFFAOYSA-N |