3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K623-0089 |
| Compound Name: | 3-[2-(2-chloro-6-fluorophenyl)acetamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[3-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 639.05 |
| Molecular Formula: | C33 H27 Cl F4 N4 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Cc1c(cccc1[Cl])F)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7839 |
| logD: | 6.6781 |
| logSw: | -6.6308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.36 |
| InChI Key: | OAYVESTYFBZJIB-UHFFFAOYSA-N |