(3-fluoro-4-methoxyphenyl)[rel-(6R,9S)-3-methyl-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
(3-fluoro-4-methoxyphenyl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(3-fluoro-4-methoxyphenyl)[rel-(6R,9S)-3-methyl-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: | SA12-0021 |
| Compound Name: | (3-fluoro-4-methoxyphenyl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C17 H19 F N4 O2 |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccc(c(c1)F)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2022 |
| logD: | 0.2021 |
| logSw: | -1.6609 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.203 |
| InChI Key: | XOFJOUIWYGNNFU-UHFFFAOYSA-N |