(+)-2-(4-(1-Propanoyloxyethyl)phenyl}-5-decyloxypyrimidine

HCID 21468270
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Basic information

Standard SMILES
CCCCCCCCCCOc1cnc(-c2ccc(C(C)OC(=O)CC)cc2)nc1
InChIKey
SHKHLDNTQBCSSZ-UHFFFAOYSA-N
Molecular formula
C25H36N2O3
Average molar mass
412.6 g/mol

Names & identifiers

Preferred name
(+)-2-(4-(1-Propanoyloxyethyl)phenyl}-5-decyloxypyrimidine
IUPAC
1-[4-(5-decoxypyrimidin-2-yl)phenyl]ethyl propanoate

Names & synonyms

(+)-2-(4-(1-Propanoyloxyethyl)phenyl}-5-decyloxypyrimidine(+)-2-{4-(1-Propanoyloxyethyl)phenyl}-5-decyloxypyrimidineSCHEMBL8775420SHKHLDNTQBCSSZ-UHFFFAOYSA-N

Database identifiers

PubChem CID
21468270

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
61.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
15
Heavy atoms
30

Related reactions

3 records
New reaction record

Linked notes

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