N-benzyl-3-(2,8-dimethyl-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-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide
N-benzyl-3-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide
Compound characteristics
| Compound ID: | C201-0101 |
| Compound Name: | N-benzyl-3-(2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-methylbenzamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=O)c1cccc(c1)C(N(C)Cc1ccccc1)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5316 |
| logD: | 4.5316 |
| logSw: | -4.4567 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.227 |
| InChI Key: | RUPXOPJWMCXQQX-UHFFFAOYSA-N |