rel-(6R,9S)-11-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)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: | SA12-0018 |
| Compound Name: | rel-(6R,9S)-11-[(3,4-difluorophenyl)methyl]-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C16 H18 F2 N4 |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1ccc(c(c1)F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1208 |
| logD: | 1.1192 |
| logSw: | -1.306 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.9884 |
| InChI Key: | WOZVUEMMTJOVOD-UHFFFAOYSA-N |