5-[1-(4-acetylbenzene-1-sulfonyl)pyrrolidin-2-yl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[1-(4-acetylbenzene-1-sulfonyl)pyrrolidin-2-yl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
5-[1-(4-acetylbenzene-1-sulfonyl)pyrrolidin-2-yl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F794-0899 |
| Compound Name: | 5-[1-(4-acetylbenzene-1-sulfonyl)pyrrolidin-2-yl]-N-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C22 H20 N4 O6 S2 |
| Smiles: | CC(c1ccc(cc1)S(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4043 |
| logD: | 2.4031 |
| logSw: | -3.0392 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.052 |
| InChI Key: | NFVJWBUCZUKNGL-KRWDZBQOSA-N |