(5-cyclopropyl-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
(5-cyclopropyl-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
(5-cyclopropyl-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: | SA12-0099 |
| Compound Name: | (5-cyclopropyl-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: | 312.37 |
| Molecular Formula: | C16 H20 N6 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cc(C2CC2)[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0645 |
| logD: | 0.0644 |
| logSw: | -1.2294 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.586 |
| InChI Key: | OXVUOKRDFABWMU-NEPJUHHUSA-N |