rel-(6R,9S)-3-phenyl-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-phenyl-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-phenyl-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: | SA12-0918 |
| Compound Name: | rel-(6R,9S)-3-phenyl-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: | 362.48 |
| Molecular Formula: | C21 H26 N6 |
| Smiles: | CC(C)n1cc(CN2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9237 |
| logD: | -0.4393 |
| logSw: | -1.6768 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.901 |
| InChI Key: | IDLCKBAMTMOEKI-RTBURBONSA-N |