N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | D294-2829 |
| Compound Name: | N-{5-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl}-3-(2-methylpropanamido)benzamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CC(C)C(Nc1cccc(c1)C(Nc1nnc(C2CC(N(C2)c2cc(C)cc(C)c2)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6287 |
| logD: | 3.6353 |
| logSw: | -4.3449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.716 |
| InChI Key: | HOPPTYREGMHVGY-SFHVURJKSA-N |