N-[(3-bromopropyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

HCID 76585264
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Basic information

Standard SMILES
Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(=O)(CCCBr)c3ccccc3)c2)c1
InChIKey
CYNXAPLLSFCADC-UHFFFAOYSA-N
Molecular formula
C29H24BrN3O4S
Average molar mass
590.5 g/mol

Names & identifiers

Preferred name
N-[(3-bromopropyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
IUPAC
N-(3-bromopropyl-oxo-phenyl-λ6-sulfanylidene)-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carboxamide

Names & synonyms

SCHEMBL833243CYNXAPLLSFCADC-UHFFFAOYSA-NN-[(3-bromopropyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

Database identifiers

PubChem CID
76585264

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
38

Related reactions

15 records
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Compound notes

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