[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(propan-2-yl)phenyl]methanone
Chemical Structure Depiction of
[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(propan-2-yl)phenyl]methanone
[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(propan-2-yl)phenyl]methanone
Compound characteristics
| Compound ID: | SA12-0015 |
| Compound Name: | [rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl][4-(propan-2-yl)phenyl]methanone |
| Molecular Weight: | 324.42 |
| Molecular Formula: | C19 H24 N4 O |
| Smiles: | CC(C)c1ccc(cc1)C(N1[C@H]2CC[C@@H]1Cn1c(C)nnc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5139 |
| logD: | 1.5138 |
| logSw: | -1.8135 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.573 |
| InChI Key: | FWDCIEMWOBWWIO-UHFFFAOYSA-N |