1-(4-methoxybenzoyl)-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-(4-methoxybenzoyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(4-methoxybenzoyl)-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: | S626-0321 |
| Compound Name: | 1-(4-methoxybenzoyl)-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: | 414.5 |
| Molecular Formula: | C22 H30 N4 O4 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6692 |
| logD: | 1.6691 |
| logSw: | -1.8841 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.029 |
| InChI Key: | QGQOTLNHBYCRHS-UHFFFAOYSA-N |