1-(3,4-dimethylphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
1-(3,4-dimethylphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | 2859-0585 |
| Compound Name: | 1-(3,4-dimethylphenyl)-3-[(4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione |
| Molecular Weight: | 302.35 |
| Molecular Formula: | C14 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(CC(C1=O)Sc1nnc[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1294 |
| logD: | 0.6752 |
| logSw: | -2.3788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.583 |
| InChI Key: | OAGZOOCUGVUJKM-NSHDSACASA-N |