3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one
Compound characteristics
| Compound ID: | SA12-0891 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[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]propan-1-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1c(CCC(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6298 |
| logD: | 1.6298 |
| logSw: | -1.8404 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.035 |
| InChI Key: | DPGWORDKYFEOHP-UHFFFAOYSA-N |