methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Base Information

• Chemical Name: methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
• CAS No.: 5975-90-6
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.4476
• DSSTox Substance ID: DTXSID10362085
• Wikidata: Q82144823

Synonyms:5975-90-6;methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate;ZINC01201937;DTXSID10362085;CCG-3677;BIM-0039686.P001;SR-01000224680;SR-01000224680-1

Chemical Property of methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Chemical Property:

• Density: 1.33g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 397.10962727
• Heavy Atom Count: 28
• Complexity: 720

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C3C(=O)N=C(S3)NC(=O)C
• Isomeric SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=C\3/C(=O)N=C(S3)NC(=O)C

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