N-{4-[2-(2'-benzyl-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-oxoethyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[2-(2'-benzyl-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-oxoethyl]phenyl}acetamide
N-{4-[2-(2'-benzyl-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-oxoethyl]phenyl}acetamide
Compound characteristics
| Compound ID: | S626-1214 |
| Compound Name: | N-{4-[2-(2'-benzyl-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-oxoethyl]phenyl}acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C28 H33 N5 O3 |
| Smiles: | CC(Nc1ccc(CC(N2CCC3(CCC4=NN(Cc5ccccc5)C(N4CC3)=O)CC2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7947 |
| logD: | 2.7947 |
| logSw: | -3.2535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.627 |
| InChI Key: | AUGMYTVHMMCIBK-UHFFFAOYSA-N |