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 |