[2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Base Information

• Chemical Name: [2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate
• CAS No.: 5594-44-5
• Molecular Formula: C29H28N4O3S
• Molecular Weight: 512.6226
• DSSTox Substance ID: DTXSID20409935

Synonyms:5594-44-5;AC1NPNP1;DTXSID20409935;AKOS030645517

Chemical Property of [2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Chemical Property:

• Density: 1.23g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 512.18821194
• Heavy Atom Count: 37
• Complexity: 893

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)C

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