[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](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Chemical Structure Depiction of
[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](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
[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](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | SA12-0921 |
| Compound Name: | [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](1,3,5-trimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 376.46 |
| Molecular Formula: | C21 H24 N6 O |
| Smiles: | Cc1c(C(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5142 |
| logD: | 0.5142 |
| logSw: | -1.5462 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.364 |
| InChI Key: | JGKWGGVMDBUVCM-UHFFFAOYSA-N |