3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0118 |
| Compound Name: | 3-{1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C24 H26 N2 O5 |
| Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1CC(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1648 |
| logD: | 1.351 |
| logSw: | -4.2053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.662 |
| InChI Key: | JKJXWEYCMXCZIV-UHFFFAOYSA-N |