2'-(2-methoxyethyl)-1-(2-methylbutanoyl)-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'-(2-methoxyethyl)-1-(2-methylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-(2-methoxyethyl)-1-(2-methylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0605 |
| Compound Name: | 2'-(2-methoxyethyl)-1-(2-methylbutanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 364.49 |
| Molecular Formula: | C19 H32 N4 O3 |
| Smiles: | CCC(C)C(N1CCC2(CCC3=NN(CCOC)C(N3CC2)=O)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7429 |
| logD: | 1.7429 |
| logSw: | -1.5752 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.757 |
| InChI Key: | DMKMNGOUPUCJCR-HNNXBMFYSA-N |