3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)benzamide
3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | C326-0113 |
| Compound Name: | 3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| Molecular Weight: | 523.97 |
| Molecular Formula: | C27 H26 Cl N3 O6 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3635 |
| logD: | 4.3607 |
| logSw: | -4.7638 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.146 |
| InChI Key: | OPXHOSNPILXCFS-UHFFFAOYSA-N |