2-(2-methoxyethoxy)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Chemical Structure Depiction of
2-(2-methoxyethoxy)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
2-(2-methoxyethoxy)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0314 |
| Compound Name: | 2-(2-methoxyethoxy)-1-[rel-(6R,9S)-3-propyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]ethan-1-one |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C16 H26 N4 O3 |
| Smiles: | CCCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(COCCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.8494 |
| logD: | -0.8497 |
| logSw: | -0.0566 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.211 |
| InChI Key: | CSIZWKXYHYZZHQ-OLZOCXBDSA-N |