3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl}propanoic acid
3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 6060-0183 |
| Compound Name: | 3-{5-(4-bromophenyl)-1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C22 H20 Br N O5 |
| Smiles: | CCOC(c1ccc(cc1O)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.983 |
| logD: | 3.1692 |
| logSw: | -5.3023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.081 |
| InChI Key: | IQOMAJBLUXARSN-UHFFFAOYSA-N |