1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S460-0213 |
| Compound Name: | 1-{3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | C1CN(CC1n1cc(c2nc(c3ccccc3)no2)nn1)C(Cc1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0351 |
| logD: | 3.0351 |
| logSw: | -2.9416 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.089 |
| InChI Key: | WGMGKEHBRZUQGA-MRXNPFEDSA-N |