1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(thiophen-3-yl)ethan-1-one
1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S895-1155 |
| Compound Name: | 1-[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 372.53 |
| Molecular Formula: | C20 H28 N4 O S |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(Cc3ccsc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.37 |
| logD: | 2.3502 |
| logSw: | -2.4462 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.402 |
| InChI Key: | NEVYWDAUNNBRKE-UHFFFAOYSA-N |