3-[5-(4-chlorophenyl)-1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[5-(4-chlorophenyl)-1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-pyrrol-2-yl]propanoic acid
3-[5-(4-chlorophenyl)-1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | D135-0163 |
| Compound Name: | 3-[5-(4-chlorophenyl)-1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 440.88 |
| Molecular Formula: | C23 H21 Cl N2 O5 |
| Smiles: | COC(c1ccccc1NC(Cn1c(CCC(O)=O)ccc1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3773 |
| logD: | 1.5635 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.661 |
| InChI Key: | KOCHXEDQJYSZQJ-UHFFFAOYSA-N |