1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(2-methylphenyl)ethan-1-one
1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S895-1042 |
| Compound Name: | 1-[3'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C23 H32 N4 O2 |
| Smiles: | Cc1ccccc1CC(N1CCC2(CCc3nnc(CCOC)n3CC2)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2283 |
| logD: | 2.228 |
| logSw: | -2.1792 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.702 |
| InChI Key: | YIMKKYAYZANXIL-UHFFFAOYSA-N |