[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](phenyl)methanone
Chemical Structure Depiction of
[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](phenyl)methanone
[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](phenyl)methanone
Compound characteristics
| Compound ID: | SA12-0588 |
| Compound Name: | [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](phenyl)methanone |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | COCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1214 |
| logD: | -0.1215 |
| logSw: | -1.3768 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.196 |
| InChI Key: | WUTJMIUGDLPYGF-UHFFFAOYSA-N |