3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K784-8024 |
| Compound Name: | 3-[(4-ethylphenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide |
| Molecular Weight: | 615.66 |
| Molecular Formula: | C34 H32 F3 N5 O3 |
| Smiles: | CCc1ccc(cc1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1c(cc(cc1F)F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9709 |
| logD: | 6.9701 |
| logSw: | -5.6634 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.107 |
| InChI Key: | WUWFNARRYRDGLQ-UHFFFAOYSA-N |