rel-(6R,9S)-N-phenyl-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-phenyl-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N-phenyl-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0938 |
| Compound Name: | rel-(6R,9S)-N-phenyl-3-(pyridin-3-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 360.42 |
| Molecular Formula: | C20 H20 N6 O |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(Nc1ccccc1)=O)nnc3c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8592 |
| logD: | 0.7727 |
| logSw: | -1.1023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.863 |
| InChI Key: | XJCRKCTYJRGLEQ-UHFFFAOYSA-N |