methyl 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2265 |
| Compound Name: | methyl 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 366.17 |
| Molecular Formula: | C15 H12 Br N O5 |
| Smiles: | CC1=C(C(/C(=C\c2cc3c(cc2[Br])OCO3)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7512 |
| logD: | 2.3005 |
| logSw: | -3.0907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.6 |
| InChI Key: | DBEMTWGHVKDOGY-UHFFFAOYSA-N |