3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0718 |
| Compound Name: | 3-[benzyl(ethyl)amino]-4-(3,4-dimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCN(Cc1ccccc1)C1=C(C(C1=O)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.761 |
| logD: | 4.761 |
| logSw: | -4.5662 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.441 |
| InChI Key: | CJRBWFYRUSKWBZ-UHFFFAOYSA-N |