(1-ethyl-1H-pyrazol-5-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
(1-ethyl-1H-pyrazol-5-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
(1-ethyl-1H-pyrazol-5-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: | SA12-0905 |
| Compound Name: | (1-ethyl-1H-pyrazol-5-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: | C20 H22 N6 O |
| Smiles: | CCn1c(ccn1)C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9384 |
| logD: | 0.9384 |
| logSw: | -1.5814 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.613 |
| InChI Key: | LZZYUMIFZDLRDF-UHFFFAOYSA-N |