2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0016 |
| Compound Name: | 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C17 H20 N2 O5 |
| Smiles: | Cc1cn(C)c(CC(Nc2ccc(c(c2)OC)OC)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4391 |
| logD: | -0.3601 |
| logSw: | -1.9992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.352 |
| InChI Key: | QAKAWHGYKLJWKZ-UHFFFAOYSA-N |