3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 6060-0169 |
| Compound Name: | 3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methoxyphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | COC(c1cccc(c1)n1c(CCC(O)=O)ccc1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3013 |
| logD: | 1.4874 |
| logSw: | -4.3507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.497 |
| InChI Key: | MNRILLBYKFMTTO-UHFFFAOYSA-N |