1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-fluorophenyl)ethan-1-one
1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | S895-0761 |
| Compound Name: | 1-(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)-2-(3-fluorophenyl)ethan-1-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C21 H27 F N4 O |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(Cc3cccc(c3)F)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.2197 |
| logD: | 2.2135 |
| logSw: | -2.3683 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.36 |
| InChI Key: | VLGCNNPFKCGPCD-UHFFFAOYSA-N |