N-(6-methylpyridin-2-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
Chemical Structure Depiction of
N-(6-methylpyridin-2-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
N-(6-methylpyridin-2-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
Compound characteristics
| Compound ID: | K781-1805 |
| Compound Name: | N-(6-methylpyridin-2-yl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide |
| Molecular Weight: | 587.6 |
| Molecular Formula: | C32 H28 F3 N5 O3 |
| Smiles: | Cc1cccc(NC(c2ccc(c(c2)NC(c2cccc(c2)C(F)(F)F)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9049 |
| logD: | 4.9849 |
| logSw: | -5.6445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.563 |
| InChI Key: | SDPLGSZDAMERFW-UHFFFAOYSA-N |