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

HCID 10240093
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Basic information

Standard SMILES
CCS(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC
InChIKey
CMPCSJBKUBWQGQ-UHFFFAOYSA-N
Molecular formula
C23H22BrN7O6S
Average molar mass
604.4 g/mol
Monoisotopic mass
603.05357

Names & identifiers

Preferred name
Ethanesulfonic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-amide
IUPAC
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]ethanesulfonamide

Names & synonyms

CHEMBL2163713SCHEMBL5493621CMPCSJBKUBWQGQ-UHFFFAOYSA-NBDBM50395653ethanesulfonic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-amide

Database identifiers

PubChem CID
10240093
ChEMBL
CHEMBL2163713

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
169 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
13
Rotatable bonds
12
Heavy atoms
38

Related reactions

1 records
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Compound notes

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