N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | C326-0418 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide |
| Molecular Weight: | 536.38 |
| Molecular Formula: | C26 H22 Br N3 O5 |
| Smiles: | C[C@@]12C[C@H](c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.6894 |
| logD: | 4.6894 |
| logSw: | -4.5827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.606 |
| InChI Key: | HVEWQFKGENKEKH-UHFFFAOYSA-N |