4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
Chemical Structure Depiction of
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
Compound characteristics
| Compound ID: | R052-2751 |
| Compound Name: | 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C18 H21 N O4 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0332 |
| logD: | 0.423 |
| logSw: | -3.2668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.305 |
| InChI Key: | WMRNFMBTPIPBCF-UHFFFAOYSA-N |