3-(4-acetylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(4-acetylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-(4-acetylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0731 |
| Compound Name: | 3-(4-acetylanilino)-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 333.39 |
| Molecular Formula: | C21 H19 N O3 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1ccc(cc1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0631 |
| logD: | 4.0286 |
| logSw: | -4.1126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.721 |
| InChI Key: | HBETTZIRTSJLHA-UHFFFAOYSA-N |