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]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
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]-2-(thiophen-3-yl)ethan-1-one
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]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA12-0851 |
| Compound Name: | 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]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | C(C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O)c1ccsc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0535 |
| logD: | 2.0535 |
| logSw: | -2.3433 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.015 |
| InChI Key: | YDZUERJNVWGTMM-UHFFFAOYSA-N |