2-(3-fluorophenyl)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-fluorophenyl)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-(3-fluorophenyl)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0324 |
| Compound Name: | 2-(3-fluorophenyl)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C19 H23 F N4 O |
| Smiles: | CCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(Cc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.716 |
| logD: | 1.7157 |
| logSw: | -1.8739 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.244 |
| InChI Key: | CQKHRTOKSKOIAU-UHFFFAOYSA-N |