rel-(6R,9S)-11-[(benzyloxy)acetyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-11-[(benzyloxy)acetyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-[(benzyloxy)acetyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1281 |
| Compound Name: | rel-(6R,9S)-11-[(benzyloxy)acetyl]-N-methyl-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Smiles: | CNC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(COCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1942 |
| logD: | 2.1942 |
| logSw: | -2.5134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.083 |
| InChI Key: | HOKIJDKDFTVZJZ-NHCUHLMSSA-N |