methyl 4-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4983-0202 |
| Compound Name: | methyl 4-[(5-{[(4-bromobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 561.41 |
| Molecular Formula: | C24 H21 Br N2 O7 S |
| Smiles: | CC1=C(/C(=C\c2ccc(CNS(c3ccc(cc3)[Br])(=O)=O)o2)C(N1Cc1ccco1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3821 |
| logD: | 4.3816 |
| logSw: | -4.3282 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.629 |
| InChI Key: | MJMVWGYFFGWMAZ-UHFFFAOYSA-N |