3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
Compound ID: | 5862-0061 |
Compound Name: | 3-[5-(4-bromophenyl)-1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]propanoic acid |
Molecular Weight: | 414.3 |
Molecular Formula: | C21 H20 Br N O3 |
Smiles: | CCOc1ccc(cc1)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 5.4678 |
logD: | 2.654 |
logSw: | -5.2758 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.903 |
InChI Key: | JHSGVPOOQRBCIT-UHFFFAOYSA-N |