3-[4-(propan-2-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[4-(propan-2-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-[4-(propan-2-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0532 |
| Compound Name: | 3-[4-(propan-2-yl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C22 H23 N O2 |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(C1=O)=O)c1cc(C)c(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.9319 |
| logD: | 5.9317 |
| logSw: | -5.5798 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | IIBOTOBPANDEKP-UHFFFAOYSA-N |