(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(thiophen-3-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)(thiophen-3-yl)methanone
(3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(thiophen-3-yl)methanone
Compound characteristics
| Compound ID: | S895-0780 |
| Compound Name: | (3'-ethyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)(thiophen-3-yl)methanone |
| Molecular Weight: | 344.48 |
| Molecular Formula: | C18 H24 N4 O S |
| Smiles: | CCc1nnc2CCC3(CCN(CC3)C(c3ccsc3)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.5872 |
| logD: | 1.581 |
| logSw: | -2.0803 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 43.905 |
| InChI Key: | HZHCDXHEFCOXAC-UHFFFAOYSA-N |