2-(3-methoxyphenyl)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-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-methoxyphenyl)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-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-methoxyphenyl)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-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: | SA12-0937 |
| Compound Name: | 2-(3-methoxyphenyl)-1-[rel-(6R,9S)-3-(pyridin-3-yl)-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: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | COc1cccc(CC(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2cccnc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0275 |
| logD: | 0.941 |
| logSw: | -0.9791 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.058 |
| InChI Key: | DJQJLBXDIPKUIA-UHFFFAOYSA-N |