N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-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-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0115 |
| Compound Name: | N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 506.65 |
| Molecular Formula: | C28 H38 N6 O3 |
| Smiles: | [H][C@@]12CCCC(N2CC2CC1CN(C2)C(N1CCC(CC1)C(NCCc1nc2ccccc2n1C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6548 |
| logD: | 1.5854 |
| logSw: | -1.9506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.167 |
| InChI Key: | NJIBCNQMWIGZRP-XKCSPQBFSA-N |