(3-fluoropyridin-4-yl)[rel-(6R,9S)-3-phenyl-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-fluoropyridin-4-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(3-fluoropyridin-4-yl)[rel-(6R,9S)-3-phenyl-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: | SA12-0842 |
| Compound Name: | (3-fluoropyridin-4-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C20 H18 F N5 O |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1ccncc1F)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3571 |
| logD: | 1.357 |
| logSw: | -1.5546 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.042 |
| InChI Key: | ZMNGRJAQGKPCMZ-UHFFFAOYSA-N |