Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate

Base Information

• Chemical Name: Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate
• CAS No.: 6174-39-6
• Molecular Formula: C22H16FN3O5
• Molecular Weight: 421.3779
• DSSTox Substance ID: DTXSID20387421

Synonyms:CBMicro_004681;6174-39-6;DTXSID20387421;Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate

Chemical Property of Methyl (3-{[1-(3-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.42g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 421.10739878
• Heavy Atom Count: 31
• Complexity: 800

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC(=CC=C4)F

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