3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
Compound ID: | D135-0045 |
Compound Name: | 3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid |
Molecular Weight: | 383.87 |
Molecular Formula: | C22 H22 Cl N O3 |
Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1CCOc1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 5.4673 |
logD: | 2.6535 |
logSw: | -5.5106 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 36.519 |
InChI Key: | CBCCLCQDMLLSJW-UHFFFAOYSA-N |