3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 6060-0149 |
| Compound Name: | 3-{5-(4-bromophenyl)-1-[4-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 428.28 |
| Molecular Formula: | C21 H18 Br N O4 |
| Smiles: | COC(c1ccc(cc1)n1c(CCC(O)=O)ccc1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1896 |
| logD: | 2.3757 |
| logSw: | -5.096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.953 |
| InChI Key: | OYAOSFAXSXBSOB-UHFFFAOYSA-N |