rel-(6R,9S)-11-[(1-methyl-1H-pyrrol-2-yl)methyl]-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-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0865 |
| Compound Name: | rel-(6R,9S)-11-[(1-methyl-1H-pyrrol-2-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C20 H23 N5 |
| Smiles: | Cn1cccc1CN1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2089 |
| logD: | 2.2088 |
| logSw: | -2.1011 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.8376 |
| InChI Key: | AAOXBRQQUFTLKM-UHFFFAOYSA-N |