(Z)-3-[(3,5-Dimethyl-4-ethoxycarbonyl-1H-pyrrol-2-yl)methylene)-5-fluoroindolin-2-one

Base Information

• Chemical Name: (Z)-3-[(3,5-Dimethyl-4-ethoxycarbonyl-1H-pyrrol-2-yl)methylene)-5-fluoroindolin-2-one
• CAS No.: 1104253-05-5
• Molecular Formula: C18H17FN2O3
• Molecular Weight: 328.3
• Mol file: 1104253-05-5.mol

Synonyms:1104253-05-5;(Z)-3-[(3,5-Dimethyl-4-ethoxycarbonyl-1H-pyrrol-2-yl)methylene)-5-fluoroindolin-2-one;(Z)-ethyl 5-((5-fluoro-2-oxoindolin-3-ylidene)Methyl)-2,4-diMethyl-1H-pyrrole-3-carboxylate;ethyl 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;SCHEMBL5567713;Ethyl (Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Chemical Property of (Z)-3-[(3,5-Dimethyl-4-ethoxycarbonyl-1H-pyrrol-2-yl)methylene)-5-fluoroindolin-2-one

Chemical Property:

• PKA: 11.65±0.20(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 328.12232057
• Heavy Atom Count: 24
• Complexity: 550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
• Isomeric SMILES: CCOC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C

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