N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L066-0504 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C21 H19 Cl N4 O5 S2 |
| Smiles: | C1CC(CN(C1)S(c1ccccc1[Cl])(=O)=O)c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.297 |
| logD: | 3.2961 |
| logSw: | -3.6186 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.322 |
| InChI Key: | MFACFBGNUDLQKJ-ZDUSSCGKSA-N |