N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-bromofuran-2-carboxamide
Chemical Structure Depiction of
N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-bromofuran-2-carboxamide
N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-bromofuran-2-carboxamide
Compound characteristics
| Compound ID: | K623-0504 |
| Compound Name: | N-[5-(4-benzylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-5-bromofuran-2-carboxamide |
| Molecular Weight: | 655.59 |
| Molecular Formula: | C35 H35 Br N4 O4 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3476 |
| logD: | 5.8327 |
| logSw: | -6.1048 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.785 |
| InChI Key: | KLZJXAYEAVISDK-UHFFFAOYSA-N |