3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0108 |
| Compound Name: | 3-{1-[2-(2-methylanilino)-2-oxoethyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C23 H24 N2 O3 |
| Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1CC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2763 |
| logD: | 1.4625 |
| logSw: | -4.12 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.488 |
| InChI Key: | OCTUWDHRYXSRKT-UHFFFAOYSA-N |