N-benzyl-3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide
Chemical Structure Depiction of
N-benzyl-3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide
N-benzyl-3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide
Compound characteristics
| Compound ID: | C201-0116 |
| Compound Name: | N-benzyl-3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide |
| Molecular Weight: | 461.95 |
| Molecular Formula: | C26 H24 Cl N3 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(N(C)Cc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.788 |
| logD: | 4.788 |
| logSw: | -4.9818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.227 |
| InChI Key: | AVYBRUBVSMIWOB-UHFFFAOYSA-N |