1-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid
1-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0274 |
| Compound Name: | 1-ethyl-2-[2-(4-fluoroanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C16 H17 F N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.247 |
| logD: | 0.4478 |
| logSw: | -2.667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.26 |
| InChI Key: | DXPBJALHJWICOL-UHFFFAOYSA-N |