(1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-methyl-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
(1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-methyl-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: | SA12-0086 |
| Compound Name: | (1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 300.36 |
| Molecular Formula: | C15 H20 N6 O |
| Smiles: | Cc1cc(C(N2[C@H]3CC[C@@H]2Cn2c(C)nnc2C3)=O)nn1C |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.1137 |
| logD: | -1.1138 |
| logSw: | -0.6415 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.059 |
| InChI Key: | ZWINQEINEZPJMH-UHFFFAOYSA-N |