rel-(6R,9S)-3-(2-methylpropyl)-11-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-3-(2-methylpropyl)-11-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-3-(2-methylpropyl)-11-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0505 |
| Compound Name: | rel-(6R,9S)-3-(2-methylpropyl)-11-[(1-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 314.43 |
| Molecular Formula: | C17 H26 N6 |
| Smiles: | CC(C)Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1cnn(C)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4734 |
| logD: | -1.7794 |
| logSw: | -0.4862 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.996 |
| InChI Key: | SVSMWLQFNDWSAZ-HUUCEWRRSA-N |