N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | N108-0197 |
| Compound Name: | N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C23 H31 N5 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(NCCc1nc3ccccc3n1C)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3697 |
| logD: | 1.1889 |
| logSw: | -2.1341 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.504 |
| InChI Key: | SYNGXNRFICFVQF-YQVWRLOYSA-N |