3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one
Compound characteristics
| Compound ID: | SA12-0479 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]propan-1-one |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C20 H29 N5 O2 |
| Smiles: | CC(C)Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CCc1c(C)noc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1789 |
| logD: | 1.1787 |
| logSw: | -1.2797 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.283 |
| InChI Key: | CSGVFARMSNVMGS-UHFFFAOYSA-N |