rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0648 |
| Compound Name: | rel-(6R,9S)-11-(4-fluoro-3-methylbenzene-1-sulfonyl)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C18 H23 F N4 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1[C@H]2CC[C@@H]1Cn1c(CCOC)nnc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9298 |
| logD: | 0.9298 |
| logSw: | -2.2817 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.731 |
| InChI Key: | LRWIFUOUSOPEHR-UHFFFAOYSA-N |