di(propan-2-yl) 5-{4-[(4-bromophenoxy)methyl]benzamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 5-{4-[(4-bromophenoxy)methyl]benzamido}benzene-1,3-dicarboxylate
di(propan-2-yl) 5-{4-[(4-bromophenoxy)methyl]benzamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | Y501-5456 |
| Compound Name: | di(propan-2-yl) 5-{4-[(4-bromophenoxy)methyl]benzamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 554.44 |
| Molecular Formula: | C28 H28 Br N O6 |
| Smiles: | CC(C)OC(c1cc(cc(c1)NC(c1ccc(COc2ccc(cc2)[Br])cc1)=O)C(=O)OC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9677 |
| logD: | 6.9665 |
| logSw: | -5.719 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.423 |
| InChI Key: | CDQGNNFTCYGGIZ-UHFFFAOYSA-N |