2-(4-{[2-({[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl}sulfinyl)benzimidazol-1-yl]sulfonyl}phenoxy)-N-(2-pyridyl)acetamide

HCID 10312482
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Basic information

Standard SMILES
COCCCOc1ccnc(CS(=O)c2nc3ccccc3n2S(=O)(=O)c2ccc(OCC(=O)Nc3ccccn3)cc2)c1C
InChIKey
PQLOAZASLAZLIU-UHFFFAOYSA-N
Molecular formula
C31H31N5O7S2
Average molar mass
649.7 g/mol
Monoisotopic mass
649.16649069

Names & identifiers

Preferred name
2-(4-{[2-({[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl}sulfinyl)benzimidazol-1-yl]sulfonyl}phenoxy)-N-(2-pyridyl)acetamide
IUPAC
2-[4-[2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]benzimidazol-1-yl]sulfonylphenoxy]-N-pyridin-2-ylacetamide

Names & synonyms

SCHEMBL7011482PQLOAZASLAZLIU-UHFFFAOYSA-N2-(4-{[2-({[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methyl}sulfinyl)benzimidazol-1-yl]sulfonyl}phenoxy)-N-(2-pyridyl)acetamide

Database identifiers

PubChem CID
10312482

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
179 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
14
Heavy atoms
45

Related reactions

2 records
New reaction record

Compound notes

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