N-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-(2,5-dimethoxyphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0032 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C26 H36 N4 O5 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(Nc1cc(ccc1OC)OC)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9997 |
| logD: | 1.9972 |
| logSw: | -2.6496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.494 |
| InChI Key: | GDQAJZNUCXMVBZ-LRXVAGHRSA-N |