1-ethyl-4-methyl-2-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | G955-0276 |
Compound Name: | 1-ethyl-4-methyl-2-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 354.33 |
Molecular Formula: | C17 H17 F3 N2 O3 |
Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 3.2611 |
logD: | 1.4619 |
logSw: | -3.233 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.26 |
InChI Key: | QEMXHVGWGMTMAK-UHFFFAOYSA-N |