(1-methyl-1H-pyrazol-3-yl)[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]methanone
Chemical Structure Depiction of
(1-methyl-1H-pyrazol-3-yl)[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]methanone
(1-methyl-1H-pyrazol-3-yl)[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]methanone
Compound characteristics
| Compound ID: | SA12-0911 |
| Compound Name: | (1-methyl-1H-pyrazol-3-yl)[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]methanone |
| Molecular Weight: | 348.41 |
| Molecular Formula: | C19 H20 N6 O |
| Smiles: | Cn1ccc(C(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5091 |
| logD: | 0.5091 |
| logSw: | -1.3976 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.216 |
| InChI Key: | NQHXOIHLURMDKT-UHFFFAOYSA-N |