3-{1-[4-(ethoxycarbonyl)phenyl]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[4-(ethoxycarbonyl)phenyl]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[4-(ethoxycarbonyl)phenyl]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 5408-2397 |
| Compound Name: | 3-{1-[4-(ethoxycarbonyl)phenyl]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 381.4 |
| Molecular Formula: | C22 H20 F N O4 |
| Smiles: | CCOC(c1ccc(cc1)n1c(CCC(O)=O)ccc1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8954 |
| logD: | 2.0816 |
| logSw: | -4.3871 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.533 |
| InChI Key: | NYQGGYHYWJUSDO-UHFFFAOYSA-N |