N-(2H-1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophene-2-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophene-2-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophene-2-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F794-0880 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(5-chlorothiophene-2-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C18 H15 Cl N4 O5 S3 |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)S(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2746 |
| logD: | 3.2734 |
| logSw: | -3.817 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.244 |
| InChI Key: | KOOFWUIAMVSZED-NSHDSACASA-N |