1-(3,4-dimethoxyphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
1-(3,4-dimethoxyphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | 2932-0433 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)N1C(CC(C1=O)Sc1nnc[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3455 |
| logD: | -0.7997 |
| logSw: | -2.1777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.844 |
| InChI Key: | NASHUZGZVPJKDD-NSHDSACASA-N |