1-[3-(methylsulfanyl)phenyl]-5-oxo-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-[3-(methylsulfanyl)phenyl]-5-oxo-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
1-[3-(methylsulfanyl)phenyl]-5-oxo-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | Y042-7124 |
| Compound Name: | 1-[3-(methylsulfanyl)phenyl]-5-oxo-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | CSc1cccc(c1)N1CC(CC1=O)C(Nc1cccc(c1)c1nc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2191 |
| logD: | 2.2157 |
| logSw: | -2.9706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.511 |
| InChI Key: | QMTWJHNBDGAWHB-CQSZACIVSA-N |