N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L078-0463 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chlorobenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C21 H19 Cl N4 O5 S2 |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8705 |
| logD: | 3.8697 |
| logSw: | -4.3717 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.389 |
| InChI Key: | ZBZZICDAOJSPIY-UHFFFAOYSA-N |