2-ethyl-1-[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
Chemical Structure Depiction of
2-ethyl-1-[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
2-ethyl-1-[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one
Compound characteristics
| Compound ID: | SA12-0633 |
| Compound Name: | 2-ethyl-1-[rel-(6R,9S)-3-(2-methoxyethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]butan-1-one |
| Molecular Weight: | 320.43 |
| Molecular Formula: | C17 H28 N4 O2 |
| Smiles: | CCC(CC)C(N1[C@H]2CC[C@@H]1Cn1c(CCOC)nnc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6511 |
| logD: | 0.6511 |
| logSw: | -0.4851 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.386 |
| InChI Key: | FRMNNBAXZNHQLC-UHFFFAOYSA-N |