5-(4-tert-butylphenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole
5-(4-tert-butylphenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
Compound ID: | F819-0018 |
Compound Name: | 5-(4-tert-butylphenyl)-3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazole |
Molecular Weight: | 411.52 |
Molecular Formula: | C22 H25 N3 O3 S |
Smiles: | CC(C)(C)c1ccc(cc1)c1nc(c2ccc(cc2)S(N2CCCC2)(=O)=O)no1 |
Stereo: | ACHIRAL |
logP: | 5.7731 |
logD: | 5.7731 |
logSw: | -5.5446 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.721 |
InChI Key: | LXJXXCAWVWAARY-UHFFFAOYSA-N |