3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
Chemical Structure Depiction of
3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | Y020-0334 |
| Compound Name: | 3-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nnc([nH]1)SC1CC(N(C1=O)c1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2282 |
| logD: | 2.8957 |
| logSw: | -4.2867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.412 |
| InChI Key: | PQIJWTIPDDTKMH-NRFANRHFSA-N |