3-[1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
3-[1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | D135-0161 |
| Compound Name: | 3-[1-{2-[2-(methoxycarbonyl)anilino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | COC(c1ccccc1NC(Cn1c(CCC(O)=O)ccc1c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4466 |
| logD: | 0.6328 |
| logSw: | -3.7226 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.68 |
| InChI Key: | PBCDBBQWYAKCBD-UHFFFAOYSA-N |