3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
Compound ID: | 6060-0109 |
Compound Name: | 3-[5-(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-1H-pyrrol-2-yl]propanoic acid |
Molecular Weight: | 380.24 |
Molecular Formula: | C17 H18 Br N O4 |
Smiles: | CCOC(Cn1c(CCC(O)=O)ccc1c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.9113 |
logD: | 1.0974 |
logSw: | -3.9397 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.466 |
InChI Key: | WIIMUJSSYDHVCJ-UHFFFAOYSA-N |