3-[1-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
3-[1-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 5862-0059 |
| Compound Name: | 3-[1-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 400.27 |
| Molecular Formula: | C20 H18 Br N O3 |
| Smiles: | COc1ccc(cc1)c1ccc(CCC(O)=O)n1c1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0102 |
| logD: | 2.1963 |
| logSw: | -4.6138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.323 |
| InChI Key: | KKWBWWYIIIQTDU-UHFFFAOYSA-N |