N-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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: | K781-1687 |
| Compound Name: | N-(4-chlorophenyl)-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: | 607.03 |
| Molecular Formula: | C32 H26 Cl F3 N4 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccc(c1)C(F)(F)F)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6407 |
| logD: | 5.7207 |
| logSw: | -6.6564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.573 |
| InChI Key: | JZNZACKQXOFIBV-UHFFFAOYSA-N |