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]-4-fluorobenzamide
Chemical Structure Depiction of
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]-4-fluorobenzamide
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]-4-fluorobenzamide
Compound characteristics
| Compound ID: | K623-0567 |
| Compound Name: | 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]-4-fluorobenzamide |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C32 H35 F N4 O3 |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(c(c1)NC(c1ccc(cc1)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1495 |
| logD: | 4.8923 |
| logSw: | -5.086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.997 |
| InChI Key: | JKGVXBCMRXMCMZ-UHFFFAOYSA-N |