4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]benzaldehyde
Chemical Structure Depiction of
4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]benzaldehyde
4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]benzaldehyde
Compound characteristics
| Compound ID: | R052-0363 |
| Compound Name: | 4-ethoxy-3-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]benzaldehyde |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | CCOc1ccc(C=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8213 |
| logD: | 2.2777 |
| logSw: | -3.0074 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.039 |
| InChI Key: | XJNIESWNUVSWRF-UHFFFAOYSA-N |