N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D294-1575 |
| Compound Name: | N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1CC(CC1=O)c1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.079 |
| logD: | 3.7841 |
| logSw: | -4.3008 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.468 |
| InChI Key: | ZORGKJDRKZPTHD-HNNXBMFYSA-N |