4-[5-Bromo-6-[(pyridin-2-ylmethyl)-amino]-pyridine-3-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate

HCID 21886099
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Basic information

Standard SMILES
CSc1sc(C(=N)N)cc1S(=O)(=O)c1cnc(NCc2ccccn2)c(Br)c1.O=C(O)C(F)(F)F
InChIKey
OPZJZFMFHCGIIK-UHFFFAOYSA-N
Molecular formula
C19H17BrF3N5O4S3
Average molar mass
612.5 g/mol

Names & identifiers

Preferred name
4-[5-Bromo-6-[(pyridin-2-ylmethyl)-amino]-pyridine-3-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate
IUPAC
4-[[5-bromo-6-(pyridin-2-ylmethylamino)-3-pyridinyl]sulfonyl]-5-methylsulfanylthiophene-2-carboximidamide;2,2,2-trifluoroacetic acid

Names & synonyms

4-[5-Bromo-6-[(pyridin-2-ylmethyl)-amino]-pyridine-3-sulfonyl]-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetate4-{5-Bromo-6-[(pyridin-2-ylmethyl)-amino]-pyridine-3-sulfonyl}-5-methylsulfanyl-thiophene-2-carboxamidine trifluoroacetateSCHEMBL5840083

Database identifiers

PubChem CID
21886099

Properties

Computed structural properties

Topological polar surface area
221 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
13
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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