2'-benzyl-1-(oxolane-3-carbonyl)-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-(oxolane-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-(oxolane-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0475 |
| Compound Name: | 2'-benzyl-1-(oxolane-3-carbonyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | C1COCC1C(N1CCC2(CCC3=NN(Cc4ccccc4)C(N3CC2)=O)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0814 |
| logD: | 2.0814 |
| logSw: | -2.3269 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.857 |
| InChI Key: | XZBQHYVOMRVGIB-IBGZPJMESA-N |