3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0167 |
| Compound Name: | 3-[butyl(phenyl)amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCCCN(C1=C(C(C1=O)=O)c1ccc(C)cc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2836 |
| logD: | 5.2836 |
| logSw: | -5.0786 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.1063 |
| InChI Key: | KKFHXZVLHGAHKH-UHFFFAOYSA-N |