(1-ethyl-1H-pyrazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-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
(1-ethyl-1H-pyrazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(1-ethyl-1H-pyrazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-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: | SA12-0495 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C18 H26 N6 O |
| Smiles: | CCn1c(ccn1)C(N1[C@H]2CC[C@@H]1Cn1c(CC(C)C)nnc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4875 |
| logD: | 0.4872 |
| logSw: | -1.5464 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.861 |
| InChI Key: | UJRNPGNDAPQPHB-UHFFFAOYSA-N |