rel-(6R,9S)-11-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-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-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0047 |
| Compound Name: | rel-(6R,9S)-11-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 310.4 |
| Molecular Formula: | C18 H22 N4 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1ccc2c(CCO2)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8938 |
| logD: | 0.852 |
| logSw: | -1.7874 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.226 |
| InChI Key: | RWPZPKVRMGHIHI-UHFFFAOYSA-N |