N-[4-(3-chlorophenyl)-6-methyl-2-(methylthio)-5-pyrimidinyl]-3-phenylpropanamide

HCID 58981790
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Basic information

Standard SMILES
CSc1nc(C)c(NC(=O)CCc2ccccc2)c(-c2cccc(Cl)c2)n1
InChIKey
FXMPKRYITIKPCI-UHFFFAOYSA-N
Molecular formula
C21H20ClN3OS
Average molar mass
397.9 g/mol
Monoisotopic mass
397.1015611

Names & identifiers

Preferred name
N-[4-(3-chlorophenyl)-6-methyl-2-(methylthio)-5-pyrimidinyl]-3-phenylpropanamide
IUPAC
N-[4-(3-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-5-yl]-3-phenylpropanamide

Names & synonyms

SCHEMBL4502999FXMPKRYITIKPCI-UHFFFAOYSA-NN-[4-(3-chlorophenyl)-6-methyl-2-(methylthio)-5-pyrimidinyl]-3-phenylpropanamide

Database identifiers

PubChem CID
58981790

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

Related reactions

3 records
New reaction record

Linked notes

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