N-[2-(methylsulfanyl)phenyl]-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-[2-(methylsulfanyl)phenyl]-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-[2-(methylsulfanyl)phenyl]-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: | K781-1677 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-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: | 618.68 |
| Molecular Formula: | C33 H29 F3 N4 O3 S |
| Smiles: | CSc1ccccc1NC(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2997 |
| logD: | 5.3798 |
| logSw: | -5.736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.876 |
| InChI Key: | GAAUJOXKCQKHCV-UHFFFAOYSA-N |