3-(10-methoxy-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-(10-methoxy-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
3-(10-methoxy-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | C269-0515 |
| Compound Name: | 3-(10-methoxy-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | CC12CC(c3cccc(c3O2)OC)NC(N1c1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2502 |
| logD: | 0.565 |
| logSw: | -3.5694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.8 |
| InChI Key: | STBLEOLSCHOOSL-UHFFFAOYSA-N |