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}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
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}-3-(trifluoromethyl)benzamide
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}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K781-1925 |
| Compound Name: | 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}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 671.72 |
| Molecular Formula: | C37 H36 F3 N5 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7822 |
| logD: | 5.6614 |
| logSw: | -5.6694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.935 |
| InChI Key: | PUQCJOKGYVROHQ-UHFFFAOYSA-N |