3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(4-chlorophenyl)methyl]benzamide
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)-N-[(4-chlorophenyl)methyl]benzamide
3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(4-chlorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | C201-0112 |
| Compound Name: | 3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(4-chlorophenyl)methyl]benzamide |
| Molecular Weight: | 526.82 |
| Molecular Formula: | C25 H21 Br Cl N3 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.371 |
| logD: | 5.371 |
| logSw: | -6.0343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.49 |
| InChI Key: | ODHOFYXEYWBEQO-UHFFFAOYSA-N |