ethyl 1-[3-(tert-butylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(tert-butylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(tert-butylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | K906-1972 |
Compound Name: | ethyl 1-[3-(tert-butylcarbamoyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 404.51 |
Molecular Formula: | C25 H28 N2 O3 |
Smiles: | CCOC(c1cc(c2ccccc2)n(c2cccc(c2)C(NC(C)(C)C)=O)c1C)=O |
Stereo: | ACHIRAL |
logP: | 5.5269 |
logD: | 5.5269 |
logSw: | -5.474 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.924 |
InChI Key: | PSZMLXHIFZXJAL-UHFFFAOYSA-N |