3-[3-(1,2-oxazol-5-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[3-(1,2-oxazol-5-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-[3-(1,2-oxazol-5-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0594 |
| Compound Name: | 3-[3-(1,2-oxazol-5-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C22 H18 N2 O3 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)Nc1cccc(c1)c1ccno1 |
| Stereo: | ACHIRAL |
| logP: | 4.6672 |
| logD: | 4.6672 |
| logSw: | -4.4581 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.763 |
| InChI Key: | HYKLLGKEAIWWBN-UHFFFAOYSA-N |