1-{4-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
1-{4-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S895-0969 |
| Compound Name: | 1-{4-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C22 H35 N5 O3 |
| Smiles: | CC(N1CCC(CC1)C(N1CCC2(CCc3nnc(CCOC)n3CC2)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0395 |
| logD: | -0.0398 |
| logSw: | 0.0197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.617 |
| InChI Key: | CBNIGIQMXLRLPC-UHFFFAOYSA-N |