ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Base Information

• Chemical Name: ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• CAS No.: 5567-59-9
• Molecular Formula: C25H22N2O3S
• Molecular Weight: 430.5
• DSSTox Substance ID: DTXSID30416958

Synonyms:5567-59-9;ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate;AC1NSWVA;DTXSID30416958;CCG-11943;AKOS000530182;BIM-0024904.P001

Chemical Property of ethyl (2Z)-2-benzylidene-7-methyl-3-oxo-5-[(E)-2-phenylethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Chemical Property:

• Vapor Pressure: 2.67E-13mmHg at 25°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 430.13511374
• Heavy Atom Count: 31
• Complexity: 830

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C2N(C1C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)S2)C
• Isomeric SMILES: CCOC(=O)C1=C(N=C2N(C1/C=C/C3=CC=CC=C3)C(=O)/C(=C/C4=CC=CC=C4)/S2)C

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