(2-ethoxyphenyl)[rel-(6R,9S)-3-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-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: | SA12-0516 |
| Compound Name: | (2-ethoxyphenyl)[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CCOc1ccccc1C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3003 |
| logD: | 0.3003 |
| logSw: | -2.2266 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.406 |
| InChI Key: | AOJNJKMPHZUHIB-UHFFFAOYSA-N |