diethyl {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}propanedioate
Chemical Structure Depiction of
diethyl {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}propanedioate
diethyl {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}propanedioate
Compound characteristics
| Compound ID: | K781-1822 |
| Compound Name: | diethyl {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}propanedioate |
| Molecular Weight: | 654.64 |
| Molecular Formula: | C33 H33 F3 N4 O7 |
| Smiles: | CCOC(C(C(=O)OCC)NC(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: | 4.4275 |
| logD: | 3.9991 |
| logSw: | -4.4205 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.027 |
| InChI Key: | XWOUJSGHHITSEJ-UHFFFAOYSA-N |