2-(3,5-dimethoxyphenyl)-1-[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]ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethoxyphenyl)-1-[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]ethan-1-one
2-(3,5-dimethoxyphenyl)-1-[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]ethan-1-one
Compound characteristics
| Compound ID: | SA12-0053 |
| Compound Name: | 2-(3,5-dimethoxyphenyl)-1-[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]ethan-1-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(Cc1cc(cc(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4374 |
| logD: | 0.4371 |
| logSw: | -1.3975 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.133 |
| InChI Key: | RGZSDOZQFXDAME-UHFFFAOYSA-N |