2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0172 |
| Compound Name: | 2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C18 H20 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cc1c(C(O)=O)c(C)cn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5056 |
| logD: | 0.7064 |
| logSw: | -2.6056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.845 |
| InChI Key: | CLCUHCOHPZNNOM-UHFFFAOYSA-N |