N-[5-(2-methyl-3,4-dihydroquinoline-1(2H)-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-(2-methyl-3,4-dihydroquinoline-1(2H)-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-(2-methyl-3,4-dihydroquinoline-1(2H)-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: | K781-1591 |
| Compound Name: | N-[5-(2-methyl-3,4-dihydroquinoline-1(2H)-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: | 626.68 |
| Molecular Formula: | C36 H33 F3 N4 O3 |
| Smiles: | CC1CCc2ccccc2N1C(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.761 |
| logD: | 6.3817 |
| logSw: | -5.8137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.734 |
| InChI Key: | YQPFSMJKOWKHOJ-UHFFFAOYSA-N |