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
2'-(2-methoxyethyl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-3'(2'H)-one
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: | S560-0050 |
| Compound Name: | 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: | 280.37 |
| Molecular Formula: | C14 H24 N4 O2 |
| Smiles: | COCCN1C(N2CCC3(CCC2=N1)CCNCC3)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0617 |
| logD: | -2.0894 |
| logSw: | 0.0601 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.989 |
| InChI Key: | LJWPCNRMKAGKHE-UHFFFAOYSA-N |