N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D294-0057 |
| Compound Name: | N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-4-methylbenzamide |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(Nc1nnc(C2CC(N(C2)c2cc(C)cc(C)c2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.58 |
| logD: | 3.5388 |
| logSw: | -4.2707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.353 |
| InChI Key: | KJHXGGBUCYRZMJ-KRWDZBQOSA-N |