3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]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-[2-(4-sulfamoylphenyl)ethyl]benzamide
3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | C201-0094 |
| Compound Name: | 3-(8-bromo-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
| Molecular Weight: | 585.48 |
| Molecular Formula: | C26 H25 Br N4 O5 S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)C(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0704 |
| logD: | 3.0697 |
| logSw: | -3.7091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.935 |
| InChI Key: | XEAWJFNWBFZTNB-UHFFFAOYSA-N |