3-[1-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
3-[1-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
Compound ID: | 5408-2391 |
Compound Name: | 3-[1-(3,5-dimethylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid |
Molecular Weight: | 337.39 |
Molecular Formula: | C21 H20 F N O2 |
Smiles: | Cc1cc(C)cc(c1)n1c(CCC(O)=O)ccc1c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 5.2567 |
logD: | 2.4429 |
logSw: | -4.8974 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 29.7793 |
InChI Key: | MQCKKVCBPAGRIR-UHFFFAOYSA-N |