(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(1-methylcyclopropyl)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)(1-methylcyclopropyl)methanone
(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(1-methylcyclopropyl)methanone
Compound characteristics
| Compound ID: | S895-0728 |
| Compound Name: | (3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(1-methylcyclopropyl)methanone |
| Molecular Weight: | 316.45 |
| Molecular Formula: | C18 H28 N4 O |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(C3(C)CC3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 0.9717 |
| logD: | 0.9655 |
| logSw: | -0.8856 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.41 |
| InChI Key: | XYAPQMCAKVHZIX-UHFFFAOYSA-N |