(2,5-dimethylfuran-3-yl)[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]methanone
Chemical Structure Depiction of
(2,5-dimethylfuran-3-yl)[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]methanone
(2,5-dimethylfuran-3-yl)[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]methanone
Compound characteristics
| Compound ID: | SA12-0840 |
| Compound Name: | (2,5-dimethylfuran-3-yl)[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]methanone |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | Cc1cc(C(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)c(C)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0898 |
| logD: | 2.0898 |
| logSw: | -3.0509 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.271 |
| InChI Key: | OUKSUFUETPUPHH-UHFFFAOYSA-N |