3-methyl-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
3-methyl-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
Compound characteristics
| Compound ID: | SA12-0846 |
| Compound Name: | 3-methyl-1-[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C19 H24 N4 O |
| Smiles: | CC(C)CC(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.064 |
| logD: | 2.064 |
| logSw: | -2.2576 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.268 |
| InChI Key: | FGYSGYVVHWZDGD-UHFFFAOYSA-N |