3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(1-phenylethyl)benzamide
Chemical Structure Depiction of
3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(1-phenylethyl)benzamide
3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(1-phenylethyl)benzamide
Compound characteristics
| Compound ID: | C326-0447 |
| Compound Name: | 3-[rel-(2R,6R)-8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]-N-(1-phenylethyl)benzamide |
| Molecular Weight: | 506.4 |
| Molecular Formula: | C26 H24 Br N3 O3 |
| Smiles: | CC(c1ccccc1)NC(c1cccc(c1)N1C(N[C@@H]2C[C@@]1(C)Oc1ccc(cc12)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0359 |
| logD: | 5.0359 |
| logSw: | -4.7356 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.653 |
| InChI Key: | UHKJYMLGJNWVNS-UHFFFAOYSA-N |