1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S454-0869 |
| Compound Name: | 1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | C1CN(CCC1n1cc(c2nc(c3ccccc3)no2)nn1)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.502 |
| logD: | 3.502 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.79 |
| InChI Key: | LEJDNHCEUMJUHT-UHFFFAOYSA-N |