N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-2-methylbenzene-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-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F794-0898 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[1-(3-chloro-2-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C21 H19 Cl N4 O5 S2 |
| Smiles: | Cc1c(cccc1[Cl])S(N1CCCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7419 |
| logD: | 3.7407 |
| logSw: | -4.0983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.225 |
| InChI Key: | YDYPODNUTCIYFM-HNNXBMFYSA-N |