1-(cycloheptanecarbonyl)-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-(cycloheptanecarbonyl)-2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
1-(cycloheptanecarbonyl)-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: | S626-0624 |
| Compound Name: | 1-(cycloheptanecarbonyl)-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: | 404.55 |
| Molecular Formula: | C22 H36 N4 O3 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCN(CC3)C(C1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8071 |
| logD: | 2.8071 |
| logSw: | -2.687 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.008 |
| InChI Key: | ZBJRIKIPCMQTOW-UHFFFAOYSA-N |