N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
Compound characteristics
Compound ID: | L840-0046 |
Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide |
Molecular Weight: | 492.57 |
Molecular Formula: | C21 H24 N4 O6 S2 |
Smiles: | COc1ccc(CCNS(c2cc(cs2)c2nnc(C(N3CCCC3)=O)o2)(=O)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 1.8745 |
logD: | 1.8743 |
logSw: | -2.7173 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.647 |
InChI Key: | MCKWLNURRIXNOR-UHFFFAOYSA-N |