1-(2-methylphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(2-methylphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
1-(2-methylphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y031-3861 |
| Compound Name: | 1-(2-methylphenyl)-5-oxo-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C21 H20 N4 O2 S2 |
| Smiles: | Cc1ccccc1N1CC(CC1=O)C(Nc1nnc(CSc2ccccc2)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7093 |
| logD: | 2.8835 |
| logSw: | -3.8763 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.547 |
| InChI Key: | HTTZCBBKXYPZJT-HNNXBMFYSA-N |