ethyl 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0109 |
| Compound Name: | ethyl 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 411.27 |
| Molecular Formula: | C18 H20 Br F N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc(cc2F)[Br])=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9449 |
| logD: | 3.9162 |
| logSw: | -3.9646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.153 |
| InChI Key: | JPZJZASYIKADQV-UHFFFAOYSA-N |