N-{5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[1-(2-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y032-4723 |
| Compound Name: | N-{5-[1-(2-ethylphenyl)-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: | CCc1ccccc1N1CC(CC1=O)c1nnc(NC(c2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9941 |
| logD: | 3.6992 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.168 |
| InChI Key: | BYURQIULMCONBQ-HNNXBMFYSA-N |