1-{4-[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]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[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]piperidin-1-yl}ethan-1-one
1-{4-[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]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SA12-0872 |
| Compound Name: | 1-{4-[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]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 365.48 |
| Molecular Formula: | C21 H27 N5 O |
| Smiles: | CC(N1CCC(CC1)N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3832 |
| logD: | 1.3489 |
| logSw: | -1.6753 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.357 |
| InChI Key: | VHKDKDRDMYTXGM-UHFFFAOYSA-N |