rel-(6R,9S)-11-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethyl-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0182 |
| Compound Name: | rel-(6R,9S)-11-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C16 H23 N5 O |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1c(C)noc1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6365 |
| logD: | 0.3854 |
| logSw: | -0.5246 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.226 |
| InChI Key: | GGCHTBSYLXDIAH-OLZOCXBDSA-N |