rel-(6R,9S)-3-phenyl-11-[(pyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-3-phenyl-11-[(pyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-3-phenyl-11-[(pyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0866 |
| Compound Name: | rel-(6R,9S)-3-phenyl-11-[(pyridin-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 331.42 |
| Molecular Formula: | C20 H21 N5 |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2Cc1ccncc1)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4701 |
| logD: | 1.4457 |
| logSw: | -1.0985 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.368 |
| InChI Key: | LEEZZTKRALOTEH-UHFFFAOYSA-N |