N-(3-fluorophenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-(3-fluorophenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0044 |
| Compound Name: | N-(3-fluorophenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C24 H31 F N4 O3 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(Nc1cccc(c1)F)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1711 |
| logD: | 2.1704 |
| logSw: | -2.82 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.017 |
| InChI Key: | SHZBLUBMSGEBCQ-YRISNDGFSA-N |