5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | L078-0379 |
Compound Name: | 5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 453.54 |
Molecular Formula: | C21 H19 N5 O3 S2 |
Smiles: | C1CN(CCC1c1nnc(C(Nc2ccccc2)=O)s1)S(c1cccc(C#N)c1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8921 |
logD: | 2.8921 |
logSw: | -3.5468 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 95.329 |
InChI Key: | BLHCUANGRRFXRX-UHFFFAOYSA-N |