[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](pyrimidin-2-yl)methanone
Chemical Structure Depiction of
[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](pyrimidin-2-yl)methanone
[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](pyrimidin-2-yl)methanone
Compound characteristics
| Compound ID: | SA12-0879 |
| Compound Name: | [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](pyrimidin-2-yl)methanone |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C19 H18 N6 O |
| Smiles: | C1C[C@@H]2Cn3c(C[C@H]1N2C(c1ncccn1)=O)nnc3c1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0245 |
| logD: | -0.0245 |
| logSw: | -1.1844 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.959 |
| InChI Key: | CGBQVAHVPXKHCG-UHFFFAOYSA-N |