methyl 5-oxo-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)pentanoate
Chemical Structure Depiction of
methyl 5-oxo-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)pentanoate
methyl 5-oxo-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)pentanoate
Compound characteristics
| Compound ID: | K040-0096 |
| Compound Name: | methyl 5-oxo-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)pentanoate |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C17 H22 N2 O4 |
| Smiles: | COC(CCCC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1425 |
| logD: | 1.1425 |
| logSw: | -1.0574 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.909 |
| InChI Key: | RAPHSKBVNXVGJL-UHFFFAOYSA-N |