Propane-1-sulfonic acid {6-[2-(5-methoxy-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-amide

HCID 59645267
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Basic information

Standard SMILES
CCCS(=O)(=O)Nc1ncnc(OCCOc2ncc(OC)cn2)c1-c1ccc(C)cc1
InChIKey
UHDCRCGRILKFBI-UHFFFAOYSA-N
Molecular formula
C21H25N5O5S
Average molar mass
459.5 g/mol
Monoisotopic mass
459.15764009

Names & identifiers

Preferred name
Propane-1-sulfonic acid {6-[2-(5-methoxy-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-amide
IUPAC
N-[6-[2-(5-methoxypyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]propane-1-sulfonamide

Names & synonyms

SCHEMBL14289232UHDCRCGRILKFBI-UHFFFAOYSA-Npropane-1-sulfonic acid {6-[2-(5-methoxy-pyrimidin-2-yloxy)-ethoxy]-5-p-tolyl-pyrimidin-4-yl}-amidepropane-1-sulfonic acid {6-[2-(5-methoxy-pyrimidin-2-yloxy)ethoxy]-5-p-tolyl-pyrimidin-4-yl}-amide

Database identifiers

PubChem CID
59645267

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
134 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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