[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](1,3-thiazol-4-yl)methanone
[rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | SA12-0973 |
| Compound Name: | [rel-(6R,9S)-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl](1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 352.42 |
| Molecular Formula: | C17 H16 N6 O S |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1cscn1)=O)nnc3c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0223 |
| logD: | -0.1087 |
| logSw: | -1.0302 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.67 |
| InChI Key: | XSVMLAFJQHCOBB-UHFFFAOYSA-N |