[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](thiophen-2-yl)methanone
[3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S895-1144 |
| Compound Name: | [3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 358.5 |
| Molecular Formula: | C19 H26 N4 O S |
| Smiles: | CC(C)c1nnc2CCC3(CCN(CC3)C(c3cccs3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 2.4756 |
| logD: | 2.4559 |
| logSw: | -2.4384 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.929 |
| InChI Key: | NCNROCQGKGBQIO-UHFFFAOYSA-N |