N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | N108-0159 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(NCc1ccc3c(c1)OCO3)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7334 |
| logD: | 1.5879 |
| logSw: | -2.3564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.791 |
| InChI Key: | FSRKDMLTZJKQCA-GVDBMIGSSA-N |