1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione
1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | Y020-0337 |
| Compound Name: | 1-(2,3-dimethylphenyl)-3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}pyrrolidine-2,5-dione |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | Cc1cccc(c1C)N1C(CC(C1=O)Sc1nnc(c2ccc(cc2)OC)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0604 |
| logD: | 1.7125 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.907 |
| InChI Key: | ISZTYBAUNHWEJK-KRWDZBQOSA-N |