rel-(6R,9S)-11-(oxan-4-yl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-11-(oxan-4-yl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(oxan-4-yl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0856 |
| Compound Name: | rel-(6R,9S)-11-(oxan-4-yl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C19 H24 N4 O |
| Smiles: | C1COCCC1N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4553 |
| logD: | 1.4474 |
| logSw: | -1.5589 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.07 |
| InChI Key: | USNIJQOSZAMLPO-SJORKVTESA-N |