rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-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-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0033 |
| Compound Name: | rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C16 H19 F N4 O2 S |
| Smiles: | Cc1cc(ccc1F)S(N1[C@H]2CC[C@@H]1Cn1c(C)nnc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8801 |
| logD: | 0.88 |
| logSw: | -2.2851 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.189 |
| InChI Key: | RENALFVBLLBMIK-UHFFFAOYSA-N |