(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(3-methyl-1,2-oxazol-4-yl)methanone
Chemical Structure Depiction of
(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(3-methyl-1,2-oxazol-4-yl)methanone
(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(3-methyl-1,2-oxazol-4-yl)methanone
Compound characteristics
| Compound ID: | S895-0807 |
| Compound Name: | (3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(3-methyl-1,2-oxazol-4-yl)methanone |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(c3conc3C)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 0.7307 |
| logD: | 0.7245 |
| logSw: | -1.1737 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.965 |
| InChI Key: | MJJLPNOZLRCXQS-UHFFFAOYSA-N |