2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile

Base Information

• Chemical Name: 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile
• CAS No.: 565168-22-1
• Molecular Formula: C17H12N4O4S
• DSSTox Substance ID: DTXSID201112361

Synonyms:DTXSID201112361;AKOS034445504;2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile;565168-22-1

Chemical Property of 2-[(Dimethylamino)methylene]-2,3-dihydro-5-(4-nitrobenzoyl)-3-oxopyrrolo[2,1-b]thiazole-7-carbonitrile

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 368.05792605
• Heavy Atom Count: 26
• Complexity: 699

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• Canonical SMILES: CN(C)C=C1C(=O)N2C(=CC(=C2S1)C#N)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

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