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]-3-(trifluoromethyl)benzamide
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]-3-(trifluoromethyl)benzamide
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]-3-(trifluoromethyl)benzamide
Compound characteristics
Compound ID: | K781-1931 |
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]-3-(trifluoromethyl)benzamide |
Molecular Weight: | 654.73 |
Molecular Formula: | C38 H37 F3 N4 O3 |
Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 7.0138 |
logD: | 6.893 |
logSw: | -6.3796 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.859 |
InChI Key: | XRRQSRQRJRKAJT-UHFFFAOYSA-N |