n-Propanesulfonic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-amide

HCID 59645273
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Basic information

Standard SMILES
CCCS(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(SC)cn2)c1Oc1ccccc1OC
InChIKey
VSECTFCBMYJVCK-UHFFFAOYSA-N
Molecular formula
C25H27N7O6S2
Average molar mass
585.7 g/mol
Monoisotopic mass
585.14642395

Names & identifiers

Preferred name
n-Propanesulfonic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-amide
IUPAC
N-[5-(2-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-2-pyrimidin-2-ylpyrimidin-4-yl]propane-1-sulfonamide

Names & synonyms

SCHEMBL14289234VSECTFCBMYJVCK-UHFFFAOYSA-Nn-propanesulfonic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-amide

Database identifiers

PubChem CID
59645273

Properties

Computed structural properties

XLogP
3
Topological polar surface area
194 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
14
Rotatable bonds
14
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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