3-{1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
3-{1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 6060-0087 |
| Compound Name: | 3-{1-[4-(ethoxycarbonyl)-3-hydroxyphenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CCOC(c1ccc(cc1O)n1c(CCC(O)=O)ccc1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.044 |
| logD: | 2.2302 |
| logSw: | -4.3281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.081 |
| InChI Key: | BOSNXIVSWMAEFC-UHFFFAOYSA-N |