(5-methyl-1,2-oxazol-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
(5-methyl-1,2-oxazol-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
(5-methyl-1,2-oxazol-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: | SA12-0213 |
| Compound Name: | (5-methyl-1,2-oxazol-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: | 315.37 |
| Molecular Formula: | C16 H21 N5 O2 |
| Smiles: | CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1cc(C)on1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8332 |
| logD: | 0.8329 |
| logSw: | -1.0283 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.024 |
| InChI Key: | XDEBENKEGYFRID-NEPJUHHUSA-N |