(S)-N-[(3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}propyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

HCID 46242011
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=[S@](=O)(CCCN3CCN(CCOCCO)CC3)c3ccccc3)c2)c1
InChIKey
PRXFQENNBHSEMT-GGCSAXROSA-N
Molecular formula
C37H41N5O6S
Average molar mass
683.8 g/mol
Monoisotopic mass
683.27775522

Names & identifiers

Preferred name
(S)-N-[(3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}propyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
IUPAC
N-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl-oxo-phenyl-lambda6-sulfanylidene]-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carboxamide

Names & synonyms

SCHEMBL848188PRXFQENNBHSEMT-GGCSAXROSA-N(S)-N-[(3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}propyl)(oxido)phenyl--sulfanylidene]-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

Database identifiers

PubChem CID
46242011

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
146 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
15
Heavy atoms
49

Related reactions

1 records
New reaction record

Linked notes

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