[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](3-fluoro-4-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](3-fluoro-4-methylphenyl)methanone
[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](3-fluoro-4-methylphenyl)methanone
Compound characteristics
| Compound ID: | SA12-0151 |
| Compound Name: | [rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](3-fluoro-4-methylphenyl)methanone |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C18 H21 F N4 O |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccc(C)c(c1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3913 |
| logD: | 1.3912 |
| logSw: | -1.9412 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.772 |
| InChI Key: | RPEJAURCYJLNGC-UHFFFAOYSA-N |