N-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide

Base Information

• Chemical Name: N-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
• CAS No.: 603947-98-4
• Molecular Formula: C14H12FN5OS
• Molecular Weight: 317.3413832
• DSSTox Substance ID: DTXSID601326788
• ChEMBL ID: CHEMBL1528070
• Mol file: 603947-98-4.mol

Synonyms:603947-98-4;ACETAMIDE,N-CYCLOPROPYL-2-[(8-FLUORO-2H-1,2,4-TRIAZINO[5,6-B]INDOL-3-YL)THIO]-;N-Cyclopropyl-2-[(8-Fluoro-2H-1,2,4-Triazino[5,6-b]Indol-3-ylThio]-Acetamide;N-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide;MLS001221996;CHEMBL1528070;DTXSID601326788;HMS2894C16;N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide;SMR000601508;SR-01000341690;SR-01000341690-1

Chemical Property of N-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide

Chemical Property:

• PSA: 108.86000
• LogP: 2.40680
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 317.07465936
• Heavy Atom Count: 22
• Complexity: 438

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MSDS Files:

Useful:

• Canonical SMILES: C1CC1NC(=O)CSC2=NC3=C(C4=C(N3)C=CC(=C4)F)N=N2

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