[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
[rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Compound characteristics
| Compound ID: | SA12-0202 |
| Compound Name: | [rel-(6R,9S)-3-ethyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone |
| Molecular Weight: | 345.4 |
| Molecular Formula: | C17 H23 N5 O3 |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1c(COC)c(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2334 |
| logD: | -0.2336 |
| logSw: | -0.0881 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.427 |
| InChI Key: | WKZCPKANKHXRAR-UHFFFAOYSA-N |