methyl 5-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4299-1857 |
| Compound Name: | methyl 5-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 481.32 |
| Molecular Formula: | C19 H17 Br N2 O6 S |
| Smiles: | CC1=C(C(/C(=C\c2ccc(CNS(c3ccc(cc3)[Br])(=O)=O)o2)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7576 |
| logD: | 3.753 |
| logSw: | -4.1042 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.255 |
| InChI Key: | MAFDGXIJCDETFS-UHFFFAOYSA-N |