methyl 4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | 4191-3768 |
Compound Name: | methyl 4-[(4-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
Molecular Weight: | 406.27 |
Molecular Formula: | C19 H20 Br N O4 |
Smiles: | CC1=C(/C(=C/c2ccc(cc2)[Br])C(N1CC1CCCO1)=O)C(=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1224 |
logD: | 3.1224 |
logSw: | -3.0333 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.765 |
InChI Key: | QWQDADXMOAGZEA-OAHLLOKOSA-N |