4-fluoro-N-{5-[4-(4-methoxyphenyl)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}benzamide
Chemical Structure Depiction of
4-fluoro-N-{5-[4-(4-methoxyphenyl)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}benzamide
4-fluoro-N-{5-[4-(4-methoxyphenyl)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}benzamide
Compound characteristics
| Compound ID: | K623-0677 |
| Compound Name: | 4-fluoro-N-{5-[4-(4-methoxyphenyl)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}benzamide |
| Molecular Weight: | 621.71 |
| Molecular Formula: | C36 H36 F N5 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)NC(c1ccc(cc1)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0078 |
| logD: | 4.7506 |
| logSw: | -4.6721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.935 |
| InChI Key: | RTKYBNUDNICQEN-UHFFFAOYSA-N |