N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L078-0444 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-methoxybenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C22 H22 N4 O6 S2 |
| Smiles: | COc1ccc(cc1)S(N1CCC(CC1)c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2585 |
| logD: | 3.2576 |
| logSw: | -3.6388 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.932 |
| InChI Key: | IQCJTMZYGQYAEM-UHFFFAOYSA-N |