N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F794-0879 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-4-fluorobenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 510.95 |
| Molecular Formula: | C20 H16 Cl F N4 O5 S2 |
| Smiles: | C1CC(c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)N(C1)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3582 |
| logD: | 3.357 |
| logSw: | -3.7804 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.225 |
| InChI Key: | INMLAJRYRLQQTC-HNNXBMFYSA-N |