rel-(6R,9S)-2-benzyl-11-(methanesulfonyl)-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)-2-benzyl-11-(methanesulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
rel-(6R,9S)-2-benzyl-11-(methanesulfonyl)-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: | SA13-0811 |
| Compound Name: | rel-(6R,9S)-2-benzyl-11-(methanesulfonyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | CS(N1[C@H]2CC[C@@H]1CN1C(C2)=NN(Cc2ccccc2)C1=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.9027 |
| logD: | 0.9027 |
| logSw: | -2.0416 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.158 |
| InChI Key: | QBDSFEMBAWBHHB-KGLIPLIRSA-N |