N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L066-0517 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-cyanobenzene-1-sulfonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C22 H19 N5 O5 S2 |
| Smiles: | C1CC(CN(C1)S(c1cccc(C#N)c1)(=O)=O)c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7793 |
| logD: | 2.7784 |
| logSw: | -3.4867 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.378 |
| InChI Key: | GTGRZMNGSGUSKN-HNNXBMFYSA-N |