(1,3-dimethyl-1H-pyrazol-5-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
(1,3-dimethyl-1H-pyrazol-5-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
(1,3-dimethyl-1H-pyrazol-5-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: | SA12-0908 |
| Compound Name: | (1,3-dimethyl-1H-pyrazol-5-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: | 362.43 |
| Molecular Formula: | C20 H22 N6 O |
| Smiles: | Cc1cc(C(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6566 |
| logD: | 0.6566 |
| logSw: | -1.6462 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.847 |
| InChI Key: | LXAVNOOSEANRKQ-UHFFFAOYSA-N |