Basic information
- CAS
603947-98-4- Standard SMILES
O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)NC1CC1- InChIKey
KMEYXWYWWATMAI-UHFFFAOYSA-N- Molecular formula
- C14H12FN5OS
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.07465936
Names & identifiers
- Preferred name
- N-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
- IUPAC
- N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
- English name
- Acetamide, N-cyclopropyl-2-[(8-fluoro-2H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
- Molecular formula
- C14H12FN5OS
- Molecular weight
- 317.34
Names & synonyms
603947-98-4N-Cyclopropyl-2-[(8-Fluoro-2H-1,2,4-Triazino[5,6-b]Indol-3-ylThio]-AcetamideN-Cyclopropyl-2-(6-fluoro-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamideMLS001221996CHEMBL1528070DTXSID601326788HMS2894C16N-cyclopropyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamideSMR000601508SR-01000341690SR-01000341690-1N-Cyclopropyl-2-[(8-Fluoro-2H-1,2,4-Triazino[5,6-b]Indol-3-Yl)Thio]-Acetamide
Show more names
Acetamide, N-cyclopropyl-2-[(8-fluoro-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-Acetamide, N-cyclopropyl-2-[(8-fluoro-2H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
Database identifiers
- CAS
603947-98-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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