(1-ethyl-5-methyl-1H-pyrazol-4-yl)[rel-(6R,9S)-3-(propan-2-yl)-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-5-methyl-1H-pyrazol-4-yl)[rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(1-ethyl-5-methyl-1H-pyrazol-4-yl)[rel-(6R,9S)-3-(propan-2-yl)-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: | SA12-0286 |
| Compound Name: | (1-ethyl-5-methyl-1H-pyrazol-4-yl)[rel-(6R,9S)-3-(propan-2-yl)-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(C)c(cn1)C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1C(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5385 |
| logD: | 0.5382 |
| logSw: | -1.0779 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.721 |
| InChI Key: | YZKHTSCWAYCQIS-UHFFFAOYSA-N |