2-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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: | SA12-0975 |
| Compound Name: | 2-cyclopentyl-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: | 351.45 |
| Molecular Formula: | C20 H25 N5 O |
| Smiles: | C1CCC(C1)CC(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.075 |
| logD: | 0.9885 |
| logSw: | -0.8753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.073 |
| InChI Key: | VFHKGGXQGXTSHI-SJORKVTESA-N |