3-(1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
Chemical Structure Depiction of
3-(1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
3-(1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid
Compound characteristics
| Compound ID: | D135-0159 |
| Compound Name: | 3-(1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-phenyl-1H-pyrrol-2-yl)propanoic acid |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C23 H22 N2 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1c(CCC(O)=O)ccc1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6776 |
| logD: | 0.8637 |
| logSw: | -3.9113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.661 |
| InChI Key: | XCVPCVARHSUBOH-UHFFFAOYSA-N |