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]-2-(2-chloro-6-fluorophenyl)acetamide
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]-2-(2-chloro-6-fluorophenyl)acetamide
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]-2-(2-chloro-6-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K781-1797 |
| 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]-2-(2-chloro-6-fluorophenyl)acetamide |
| Molecular Weight: | 653.2 |
| Molecular Formula: | C38 H38 Cl F N4 O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7084 |
| logD: | 6.7032 |
| logSw: | -6.4818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.646 |
| InChI Key: | DKAWEBGUNLFADO-UHFFFAOYSA-N |