N-ethyl-N-(3-methylphenyl)-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-ethyl-N-(3-methylphenyl)-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-ethyl-N-(3-methylphenyl)-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: | K781-1563 |
| Compound Name: | N-ethyl-N-(3-methylphenyl)-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: | 614.67 |
| Molecular Formula: | C35 H33 F3 N4 O3 |
| Smiles: | CCN(C(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1cccc(C)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8184 |
| logD: | 6.4391 |
| logSw: | -5.7142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.83 |
| InChI Key: | FUBYYADKHBRUBT-UHFFFAOYSA-N |