2-(2-chloro-6-fluorophenyl)-N-[5-(3,5-dimethylpiperidine-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-(3,5-dimethylpiperidine-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-(3,5-dimethylpiperidine-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: | K623-0562 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-N-[5-(3,5-dimethylpiperidine-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: | 591.13 |
| Molecular Formula: | C33 H36 Cl F N4 O3 |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6185 |
| logD: | 5.6133 |
| logSw: | -5.9858 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.784 |
| InChI Key: | HYRCJSHHASINKB-UHFFFAOYSA-N |