octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Chemical Structure Depiction of
octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Compound characteristics
| Compound ID: | 8007-8596 |
| Compound Name: | octyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate |
| Molecular Weight: | 546.46 |
| Molecular Formula: | C27 H32 Br N O6 |
| Smiles: | CCCCCCCCOC(c1ccc(cc1)NC(CCC(=O)OCC(c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9485 |
| logD: | 6.9483 |
| logSw: | -5.7607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.945 |
| InChI Key: | IHQULNHGTVRNFF-UHFFFAOYSA-N |