N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L078-0454 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(2-methylbenzene-1-sulfonyl)piperidin-4-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C22 H22 N4 O5 S2 |
| Smiles: | Cc1ccccc1S(N1CCC(CC1)c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4026 |
| logD: | 3.4018 |
| logSw: | -3.6028 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.389 |
| InChI Key: | PYBICKKYDFDUCB-UHFFFAOYSA-N |