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 |