1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-methoxyphenyl)ethan-1-one
1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S895-0751 |
| Compound Name: | 1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(Cc3cccc(c3)OC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.1529 |
| logD: | 2.1467 |
| logSw: | -2.3572 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.903 |
| InChI Key: | JHKSVLWUMUDVCK-UHFFFAOYSA-N |