(2-ethoxyphenyl)[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]methanone
Chemical Structure Depiction of
(2-ethoxyphenyl)[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]methanone
(2-ethoxyphenyl)[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]methanone
Compound characteristics
| Compound ID: | SA12-0106 |
| Compound Name: | (2-ethoxyphenyl)[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]methanone |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccccc1OCC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1226 |
| logD: | 1.1224 |
| logSw: | -2.2788 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.982 |
| InChI Key: | SIOIUFIJQMLQIU-UHFFFAOYSA-N |