(2,6-dimethoxypyridin-3-yl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Chemical Structure Depiction of
(2,6-dimethoxypyridin-3-yl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
(2,6-dimethoxypyridin-3-yl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Compound characteristics
| Compound ID: | S895-0733 |
| Compound Name: | (2,6-dimethoxypyridin-3-yl)(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(c3ccc(nc3OC)OC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.058 |
| logD: | 2.0518 |
| logSw: | -2.6117 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.248 |
| InChI Key: | JDXGZYHNSNBOLX-UHFFFAOYSA-N |