1-(2,2-dimethylbutanoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Chemical Structure Depiction of
1-(2,2-dimethylbutanoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(2,2-dimethylbutanoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0634 |
| Compound Name: | 1-(2,2-dimethylbutanoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 378.51 |
| Molecular Formula: | C20 H34 N4 O3 |
| Smiles: | CCC(C)(C)C(N1CCC2(CCC3=NN(CCOC)C(N3CC2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3621 |
| logD: | 2.3621 |
| logSw: | -1.8978 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.757 |
| InChI Key: | DTNCEVUQKOVHKX-UHFFFAOYSA-N |