1-(2,5-dimethoxyphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
1-(2,5-dimethoxyphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y031-4893 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | COc1ccc(c(c1)N1CC(CC1=O)C(Nc1nnc(CSc2ccccc2)s1)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4804 |
| logD: | 2.6545 |
| logSw: | -3.8814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.721 |
| InChI Key: | DDEKKUMBOQZLQY-AWEZNQCLSA-N |