rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-(pyridin-3-yl)-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-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-1264 |
| Compound Name: | rel-(6R,9S)-11-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C18 H20 N6 O3 S |
| Smiles: | Cc1c(c(C)on1)S(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3199 |
| logD: | -0.4063 |
| logSw: | -1.1872 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.697 |
| InChI Key: | SVVNQZZNIAQGSY-UHFFFAOYSA-N |