rel-(6R,9S)-11-[(2-methyl-1H-imidazol-1-yl)acetyl]-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-11-[(2-methyl-1H-imidazol-1-yl)acetyl]-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-[(2-methyl-1H-imidazol-1-yl)acetyl]-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1453 |
| Compound Name: | rel-(6R,9S)-11-[(2-methyl-1H-imidazol-1-yl)acetyl]-3-phenyl-N-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H30 N6 O2 |
| Smiles: | CC(C)NC(c1c2C[C@@H]3CC[C@H](Cn2c(c2ccccc2)n1)N3C(Cn1ccnc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1751 |
| logD: | 0.15 |
| logSw: | -2.0818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.031 |
| InChI Key: | AERGGWSFOCTQQC-WOJBJXKFSA-N |