N-{5-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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: | K781-1796 |
| Compound Name: | N-{5-[3-methyl-4-(3-methylphenyl)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: | 669.75 |
| Molecular Formula: | C38 H38 F3 N5 O3 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)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: | 6.5581 |
| logD: | 6.4374 |
| logSw: | -5.7073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.609 |
| InChI Key: | RQOLPFGCMXGWKG-UHFFFAOYSA-N |