2-(4-fluorophenoxy)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0950 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(COc1ccc(cc1)F)=O)nnc3c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6282 |
| logD: | 0.5417 |
| logSw: | -0.5778 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.014 |
| InChI Key: | BFXKYLRAMTVMGW-SJORKVTESA-N |