2-(Cyclohexylmethoxy)-4-(methyl-sulfonyl)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
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Basic information
- Standard SMILES
CS(=O)(=O)c1nc(OCC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1- InChIKey
FXEZRJBUZIVVAQ-UHFFFAOYSA-N- Molecular formula
- C24H23Cl3N2O3S
- Average molar mass
- 525.9 g/mol
- Monoisotopic mass
- 524.049497
Names & identifiers
- Preferred name
- 2-(Cyclohexylmethoxy)-4-(methyl-sulfonyl)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
- IUPAC
- 5-(4-chlorophenyl)-2-(cyclohexylmethoxy)-4-(2,4-dichlorophenyl)-6-methylsulfonylpyrimidine
Names & synonyms
SCHEMBL4810158FXEZRJBUZIVVAQ-UHFFFAOYSA-N2-(cyclohexylmethoxy)-4-(methyl-sulfonyl)-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrimidine
Database identifiers
- PubChem CID
- 69200054
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 723
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Related reactions
2 records
Compound notes
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