ethyl 2,4-dimethyl-5-[3-oxo-3-(2,3,5,6-tetrafluoroanilino)propyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-[3-oxo-3-(2,3,5,6-tetrafluoroanilino)propyl]-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-[3-oxo-3-(2,3,5,6-tetrafluoroanilino)propyl]-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | G726-1227 |
Compound Name: | ethyl 2,4-dimethyl-5-[3-oxo-3-(2,3,5,6-tetrafluoroanilino)propyl]-1H-pyrrole-3-carboxylate |
Molecular Weight: | 386.34 |
Molecular Formula: | C18 H18 F4 N2 O3 |
Smiles: | CCOC(c1c(C)c(CCC(Nc2c(c(cc(c2F)F)F)F)=O)[nH]c1C)=O |
Stereo: | ACHIRAL |
logP: | 3.128 |
logD: | 0.4476 |
logSw: | -3.129 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.951 |
InChI Key: | NUVOIEGCKJUBRB-UHFFFAOYSA-N |