ethyl 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate

Base Information

• Chemical Name: ethyl 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate
• CAS No.: 6252-72-8
• Molecular Formula: C22H20N4O4S
• Molecular Weight: 436.5
• DSSTox Substance ID: DTXSID20417611
• Wikidata: Q82227661

Synonyms:6252-72-8;ethyl 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate;AC1NT937;DTXSID20417611;RPAAAWXDFODICB-OMLAYDHKSA-N;STK836174;AKOS001659838;BIM-0047659.P001;AO-299/15048133;SR-01000463851;SR-01000463851-1;ethyl 4-{5-[(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoate;ethyl 4-{5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-furyl}benzoate;ethyl 4-{5-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]furan-2-yl}benzoate

Chemical Property of ethyl 4-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate

Chemical Property:

• Vapor Pressure: 3.78E-13mmHg at 25°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 436.12052631
• Heavy Atom Count: 31
• Complexity: 844

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MSDS Files:

Useful:

• Canonical SMILES: CCCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC)C(=O)N=C2S1
• Isomeric SMILES: CCCC1=NN2C(=N)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC)/C(=O)N=C2S1

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