3-(8-chloro-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-chloro-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-chloro-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: | C326-0142 |
Compound Name: | 3-(8-chloro-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: | 541.02 |
Molecular Formula: | C26 H25 Cl N4 O5 S |
Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.9429 |
logD: | 2.9422 |
logSw: | -3.9026 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 107.935 |
InChI Key: | RRKCNWXDPVVJML-UHFFFAOYSA-N |