1-[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]-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[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]-2-(3-methoxyphenyl)ethan-1-one
1-[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]-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SA12-0117 |
| Compound Name: | 1-[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]-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(Cc1cccc(c1)OC)=O |
| Stereo: | RELATIVE |
| logP: | 1.1018 |
| logD: | 1.1009 |
| logSw: | -1.7654 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.788 |
| InChI Key: | SLLOYGJSHPTOIN-UHFFFAOYSA-N |