rel-(6R,9S)-11-(ethanesulfonyl)-3-phenyl-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-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-(ethanesulfonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0841 |
| Compound Name: | rel-(6R,9S)-11-(ethanesulfonyl)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 332.42 |
| Molecular Formula: | C16 H20 N4 O2 S |
| Smiles: | CCS(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9994 |
| logD: | 0.9994 |
| logSw: | -2.132 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.306 |
| InChI Key: | MHPRKIAMFGCDGB-UHFFFAOYSA-N |