3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
Compound ID: | 5408-2361 |
Compound Name: | 3-[5-(4-bromophenyl)-1-(2,5-dimethylphenyl)-1H-pyrrol-2-yl]propanoic acid |
Molecular Weight: | 398.3 |
Molecular Formula: | C21 H20 Br N O2 |
Smiles: | Cc1ccc(C)c(c1)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 6.0318 |
logD: | 3.218 |
logSw: | -5.2019 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 29.4784 |
InChI Key: | ZYDAZODOIRMFBV-UHFFFAOYSA-N |