ethyl 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2185 |
| Compound Name: | ethyl 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 428.89 |
| Molecular Formula: | C23 H22 Cl F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(Nc2ccc(c(c2)[Cl])F)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6026 |
| logD: | 5.5698 |
| logSw: | -5.7991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.799 |
| InChI Key: | FYOGCYUIIBKUPV-UHFFFAOYSA-N |