[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](1-methyl-1H-indazol-3-yl)methanone
Chemical Structure Depiction of
[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](1-methyl-1H-indazol-3-yl)methanone
[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](1-methyl-1H-indazol-3-yl)methanone
Compound characteristics
| Compound ID: | SA12-0041 |
| Compound Name: | [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](1-methyl-1H-indazol-3-yl)methanone |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C18 H20 N6 O |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1c2ccccc2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1911 |
| logD: | -0.1912 |
| logSw: | -1.5851 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.109 |
| InChI Key: | VITWGTKIKKBOQC-UHFFFAOYSA-N |