N-[3-(azepan-1-yl)propyl]-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-(azepan-1-yl)propyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-[3-(azepan-1-yl)propyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0136 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 487.69 |
| Molecular Formula: | C27 H45 N5 O3 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(NCCCN1CCCCCC1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7449 |
| logD: | -0.8837 |
| logSw: | -2.0688 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.494 |
| InChI Key: | HAEFZBRZQZRTBX-QPTUXGOLSA-N |