(4-methylpyridin-3-yl)[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Chemical Structure Depiction of
(4-methylpyridin-3-yl)[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
(4-methylpyridin-3-yl)[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone
Compound characteristics
| Compound ID: | S895-1175 |
| Compound Name: | (4-methylpyridin-3-yl)[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]methanone |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(c3cnccc3C)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.804 |
| logD: | 1.7843 |
| logSw: | -1.7084 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.429 |
| InChI Key: | WNUBFGWFKUHSKY-UHFFFAOYSA-N |