1-{4-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
1-{4-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S895-1158 |
| Compound Name: | 1-{4-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]-1-carbonyl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 401.55 |
| Molecular Formula: | C22 H35 N5 O2 |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(C3CCN(CC3)C(C)=O)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.1076 |
| logD: | 1.0878 |
| logSw: | -1.1774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.299 |
| InChI Key: | MJGGPQJBVVAZHP-UHFFFAOYSA-N |