rel-(6R,9S)-3-(2-methylpropyl)-11-{[1-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-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: | SA12-0509 |
| Compound Name: | rel-(6R,9S)-3-(2-methylpropyl)-11-{[1-(propan-2-yl)-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: | 342.49 |
| Molecular Formula: | C19 H30 N6 |
| Smiles: | CC(C)Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1cnn(c1)C(C)C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4727 |
| logD: | -2.2113 |
| logSw: | -1.1273 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 44.149 |
| InChI Key: | QBRKCXHRMRTQBZ-DLBZAZTESA-N |