3-(3,4-dimethylphenyl)-4-(2-ethyl-6-methylanilino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-4-(2-ethyl-6-methylanilino)cyclobut-3-ene-1,2-dione
3-(3,4-dimethylphenyl)-4-(2-ethyl-6-methylanilino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0668 |
| Compound Name: | 3-(3,4-dimethylphenyl)-4-(2-ethyl-6-methylanilino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCc1cccc(C)c1NC1=C(C(C1=O)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9583 |
| logD: | 4.9582 |
| logSw: | -4.5952 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.499 |
| InChI Key: | WVPSHQKKTWXFDC-UHFFFAOYSA-N |