rel-(6R,9S)-3-methyl-11-(1-methyl-1H-imidazole-4-sulfonyl)-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)-3-methyl-11-(1-methyl-1H-imidazole-4-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-3-methyl-11-(1-methyl-1H-imidazole-4-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0035 |
| Compound Name: | rel-(6R,9S)-3-methyl-11-(1-methyl-1H-imidazole-4-sulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C13 H18 N6 O2 S |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3S(c1cn(C)cn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.4689 |
| logD: | -1.469 |
| logSw: | -1.3592 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.601 |
| InChI Key: | RSOVTGYCEGKJJN-UHFFFAOYSA-N |