rel-(6R,9S)-11-(1,2-dimethyl-1H-imidazole-4-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-(1,2-dimethyl-1H-imidazole-4-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-(1,2-dimethyl-1H-imidazole-4-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: | SA12-0622 |
| Compound Name: | rel-(6R,9S)-11-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C16 H24 N6 O3 S |
| Smiles: | Cc1nc(cn1C)S(N1[C@H]2CC[C@@H]1Cn1c(CCOC)nnc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.0756 |
| logD: | -1.0757 |
| logSw: | -1.0595 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.081 |
| InChI Key: | JROYENWJGKYEJT-UHFFFAOYSA-N |