4-Chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-[2-(2,2-dimethyl[1,3]dioxolan-4-yl)-vinyl]-pyrimidine

HCID 86619862

Basic information

Standard SMILES
CC1(C)OCC(C=Cc2cc(Cl)nc(SCc3cccc(F)c3F)n2)O1
InChIKey
YOKYYPYCWVEYGB-UHFFFAOYSA-N
Molecular formula
C18H17ClF2N2O2S
Average molar mass
398.9 g/mol
Monoisotopic mass
398.066733

Names & identifiers

Preferred name
4-Chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-[2-(2,2-dimethyl[1,3]dioxolan-4-yl)-vinyl]-pyrimidine
IUPAC
4-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]-6-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethenyl]pyrimidine

Names & synonyms

SCHEMBL1487005SCHEMBL1644296YOKYYPYCWVEYGB-UHFFFAOYSA-N4-Chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-[2-(2,2-dimethyl[1,3]dioxolan-4-yl)-vinyl]-pyrimidine

Database identifiers

PubChem CID
86619862

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
69.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

Related reactions

4 records

Compound notes

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