rel-(6R,9S)-11-(ethanesulfonyl)-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-(ethanesulfonyl)-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-(ethanesulfonyl)-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: | SA12-0626 |
| Compound Name: | rel-(6R,9S)-11-(ethanesulfonyl)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C13 H22 N4 O3 S |
| Smiles: | CCS(N1[C@H]2CC[C@@H]1Cn1c(CCOC)nnc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8822 |
| logD: | -0.8823 |
| logSw: | -1.0607 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.897 |
| InChI Key: | ATLZLICLJWUQGL-MNOVXSKESA-N |