ethyl 4-{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]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{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]benzoyl}piperazine-1-carboxylate
ethyl 4-{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]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-1766 |
| Compound Name: | ethyl 4-{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]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 637.66 |
| Molecular Formula: | C33 H34 F3 N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(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: | 4.5807 |
| logD: | 4.4599 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.911 |
| InChI Key: | WYRLYUFRGIMQHT-UHFFFAOYSA-N |