2'-benzyl-1-(3,3-dimethylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
2'-benzyl-1-(3,3-dimethylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-(3,3-dimethylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0673 |
| Compound Name: | 2'-benzyl-1-(3,3-dimethylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C24 H34 N4 O2 |
| Smiles: | CC(C)(C)CC(N1CCC2(CCC3=NN(Cc4ccccc4)C(N3CC2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7909 |
| logD: | 3.7909 |
| logSw: | -3.8891 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.637 |
| InChI Key: | VJHKIWSGVCLXCB-UHFFFAOYSA-N |