3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0045 |
| Compound Name: | 3-{1-[2-(2-chlorophenoxy)ethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C22 H22 Cl N O3 |
| Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1CCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4673 |
| logD: | 2.6535 |
| logSw: | -5.5106 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.519 |
| InChI Key: | CBCCLCQDMLLSJW-UHFFFAOYSA-N |