N-[(5-methylfuran-2-yl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
N-[(5-methylfuran-2-yl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | N115-0082 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-6-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)c1ccc(cn1)C(NCc1ccc(C)o1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9417 |
| logD: | 2.9416 |
| logSw: | -3.2386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.201 |
| InChI Key: | PXDWGACRAISABU-ILZDJORESA-N |