methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3448 |
| Compound Name: | methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 362.22 |
| Molecular Formula: | C17 H16 Br N O3 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[Br])C(N1CC=C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5119 |
| logD: | 3.5119 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.36 |
| InChI Key: | KREXLNNZGTWYOU-UHFFFAOYSA-N |