methyl 4-[(5-{[(4-chlorobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(5-{[(4-chlorobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(5-{[(4-chlorobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-1108 |
| Compound Name: | methyl 4-[(5-{[(4-chlorobenzene-1-sulfonyl)amino]methyl}furan-2-yl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C24 H25 Cl N2 O7 S |
| Smiles: | CC1=C(/C(=C\c2ccc(CNS(c3ccc(cc3)[Cl])(=O)=O)o2)C(N1CC1CCCO1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3322 |
| logD: | 3.3318 |
| logSw: | -3.8348 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.535 |
| InChI Key: | QJVCRFFBVARDSV-LJQANCHMSA-N |