4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
Chemical Structure Depiction of
4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid
Compound characteristics
| Compound ID: | IB04-1939 |
| Compound Name: | 4-({1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoic acid |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | COc1ccc(CCN2C(C=C(C2=O)Nc2ccc(cc2)C(O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.31 |
| logD: | -0.09 |
| logSw: | -3.33 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 172.8 |
| InChI Key: | YOPCKKQLFYTUJD-UHFFFAOYSA-N |