ethyl 5-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1129 |
| Compound Name: | ethyl 5-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 411.27 |
| Molecular Formula: | C18 H20 Br F N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(Nc2ccc(cc2F)[Br])=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6134 |
| logD: | 3.5847 |
| logSw: | -3.9421 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.649 |
| InChI Key: | NIZMFMBBBPXBDY-UHFFFAOYSA-N |