(1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-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: | SA12-0290 |
| Compound Name: | (1,5-dimethyl-1H-pyrazol-3-yl)[rel-(6R,9S)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 328.42 |
| Molecular Formula: | C17 H24 N6 O |
| Smiles: | CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cc(C)n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.083 |
| logD: | 0.0827 |
| logSw: | -0.661 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.282 |
| InChI Key: | QFGRXFRRPOBOAA-UHFFFAOYSA-N |