3-({4-chloro-1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
Chemical Structure Depiction of
3-({4-chloro-1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
3-({4-chloro-1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | 5848-3314 |
| Compound Name: | 3-({4-chloro-1-[2-(ethoxycarbonyl)phenyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid |
| Molecular Weight: | 414.8 |
| Molecular Formula: | C20 H15 Cl N2 O6 |
| Smiles: | CCOC(c1ccccc1N1C(C(=C(C1=O)[Cl])Nc1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6861 |
| logD: | 0.8003 |
| logSw: | -4.0171 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.124 |
| InChI Key: | NDZFPHPDYISPGU-UHFFFAOYSA-N |