Basic information
- Standard SMILES
CSc1nc(C)c(C(=O)NCC=Cc2ccccc2)c(-c2cccc(Cl)c2)n1- InChIKey
MRAIXIJDABJNIY-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3OS
- Average molar mass
- 409.9 g/mol
Names & identifiers
- Preferred name
- 4-(3-chlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenyl-2-propen-1-yl)-5-pyrimidinecarboxamide
- IUPAC
- 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL4509701MRAIXIJDABJNIY-UHFFFAOYSA-N4-(3-chlorophenyl)-6-methyl-2-(methylthio)-N-(3-phenyl-2-propen-1-yl)-5-pyrimidinecarboxamide
Database identifiers
- PubChem CID
- 69072805
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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