2-(2-chloro-6-fluorophenyl)-N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}acetamide
Chemical Structure Depiction of
2-(2-chloro-6-fluorophenyl)-N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}acetamide
2-(2-chloro-6-fluorophenyl)-N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}acetamide
Compound characteristics
| Compound ID: | K623-0573 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-N-{5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}acetamide |
| Molecular Weight: | 658.15 |
| Molecular Formula: | C36 H34 Cl F2 N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Cc1c(cccc1[Cl])F)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5235 |
| logD: | 5.5183 |
| logSw: | -6.0199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.178 |
| InChI Key: | RUZBSVFRMZRGCI-UHFFFAOYSA-N |