3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | E511-0899 |
| Compound Name: | 3-[(6-acetyl-2H-1,3-benzodioxol-5-yl)amino]-4-[4-(propan-2-yl)phenyl]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C22 H19 N O5 |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C(C1=O)=O)Nc1cc2c(cc1C(C)=O)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.2702 |
| logD: | 2.9593 |
| logSw: | -4.2596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.139 |
| InChI Key: | NCVNYAHPEWLZPW-UHFFFAOYSA-N |