rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Chemical Structure Depiction of
rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Compound characteristics
| Compound ID: | SA13-0010 |
| Compound Name: | rel-(6R,9S)-11-[(4-methoxyphenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | COc1ccc(CC(N2[C@H]3CC[C@@H]2CN2C(C3)=NNC2=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9064 |
| logD: | 0.8999 |
| logSw: | -1.7713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.395 |
| InChI Key: | HFEUKYQYBXPRCK-STQMWFEESA-N |