3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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: | SA12-0884 |
| Compound Name: | 3-(2-methoxyphenyl)-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: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | COc1ccccc1CCC(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7093 |
| logD: | 2.7093 |
| logSw: | -2.8165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.627 |
| InChI Key: | YMLLDVUSKROKJG-UHFFFAOYSA-N |