rel-(6R,9S)-11-(3-fluoropyridine-2-carbonyl)-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-(3-fluoropyridine-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
rel-(6R,9S)-11-(3-fluoropyridine-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide
Compound characteristics
| Compound ID: | SA14-1157 |
| Compound Name: | rel-(6R,9S)-11-(3-fluoropyridine-2-carbonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epiminoimidazo[1,5-a]azocine-1-carboxamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C22 H20 F N5 O2 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1c(cccn1)F)=O)c(C(N)=O)nc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3209 |
| logD: | 1.3209 |
| logSw: | -1.6201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.218 |
| InChI Key: | HWFCNIAXVNGMQF-CABCVRRESA-N |