3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E882-0480 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | Cc1cc(C)c(cc1C)C1=C(C(C1=O)=O)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.0707 |
| logD: | 4.0707 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.332 |
| InChI Key: | WRDPJMYCRRDSDS-UHFFFAOYSA-N |