ethyl 4-{[3-fluoro-N-(2-phenylethyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-fluoro-N-(2-phenylethyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[3-fluoro-N-(2-phenylethyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | G798-0720 |
Compound Name: | ethyl 4-{[3-fluoro-N-(2-phenylethyl)benzamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 422.5 |
Molecular Formula: | C25 H27 F N2 O3 |
Smiles: | CCOC(c1c(C)c(CN(CCc2ccccc2)C(c2cccc(c2)F)=O)c(C)[nH]1)=O |
Stereo: | ACHIRAL |
logP: | 4.5228 |
logD: | 4.5228 |
logSw: | -4.3419 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.891 |
InChI Key: | IXLXRRJLJLFGIS-UHFFFAOYSA-N |