3-phenyl-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-phenyl-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
3-phenyl-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0409 |
| Compound Name: | 3-phenyl-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 291.35 |
| Molecular Formula: | C19 H17 N O2 |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.416 |
| logD: | 4.4156 |
| logSw: | -4.2869 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.894 |
| InChI Key: | IOHZTDCJWMUWGZ-UHFFFAOYSA-N |