methyl 2-{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]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{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]benzamido}benzoate
methyl 2-{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]benzamido}benzoate
Compound characteristics
| Compound ID: | K781-1717 |
| Compound Name: | methyl 2-{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]benzamido}benzoate |
| Molecular Weight: | 630.62 |
| Molecular Formula: | C34 H29 F3 N4 O5 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9688 |
| logD: | 5.0488 |
| logSw: | -5.7265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.049 |
| InChI Key: | GSLCYUKJJIQJJP-UHFFFAOYSA-N |