4-phenyl-1-[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]butan-1-one
Chemical Structure Depiction of
4-phenyl-1-[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]butan-1-one
4-phenyl-1-[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]butan-1-one
Compound characteristics
| Compound ID: | SA12-0949 |
| Compound Name: | 4-phenyl-1-[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]butan-1-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C23 H25 N5 O |
| Smiles: | C(CC(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1cccnc1)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9268 |
| logD: | 1.8404 |
| logSw: | -1.6624 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.515 |
| InChI Key: | BXVBXYTZQHMZTI-UHFFFAOYSA-N |