3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E470-0085 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C19 H15 N O4 |
| Smiles: | Cc1ccc(cc1)C1=C(C(C1=O)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0831 |
| logD: | 3.0831 |
| logSw: | -3.1133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.332 |
| InChI Key: | YLJMTGGEUOMZAK-UHFFFAOYSA-N |