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
- Formal charge
- 0
- Complexity
- 500
Related reactions
4 records
Compound notes
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