3-[2'-(2-methoxyethyl)-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[2'-(2-methoxyethyl)-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]benzonitrile
3-[2'-(2-methoxyethyl)-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S626-0616 |
| Compound Name: | 3-[2'-(2-methoxyethyl)-3'-oxo-2',3',5',6',8',9'-hexahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]benzonitrile |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2239 |
| logD: | 1.2239 |
| logSw: | -1.8346 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.541 |
| InChI Key: | BGYBYHJLKVQRFO-UHFFFAOYSA-N |