(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Base Information

• Chemical Name: (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
• CAS No.: 5972-00-9
• Molecular Formula: C21H17FN2O3S
• Molecular Weight: 396.4347
• DSSTox Substance ID: DTXSID90417284
• Wikidata: Q82227087

Synonyms:STK191628;(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;5972-00-9;DTXSID90417284;AKOS000324925

Chemical Property of (5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.36g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 396.09439174
• Heavy Atom Count: 28
• Complexity: 658

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)NC1=S
• Isomeric SMILES: C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3F)/C(=O)NC1=S

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