2'-benzyl-1-(3-methoxypropanoyl)-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-methoxypropanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
2'-benzyl-1-(3-methoxypropanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
Compound characteristics
| Compound ID: | S626-0437 |
| Compound Name: | 2'-benzyl-1-(3-methoxypropanoyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | COCCC(N1CCC2(CCC3=NN(Cc4ccccc4)C(N3CC2)=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7874 |
| logD: | 1.7874 |
| logSw: | -1.9374 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.979 |
| InChI Key: | HUUKFSOZELOPKN-UHFFFAOYSA-N |