5-benzyl 1-(4-nitrophenyl) 6-(3-chlorophenyl)-2-methoxy-4-methyl-6H-pyrimidine-1,5-dicarboxylate

HCID 69745932
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Basic information

Standard SMILES
COC1=NC(C)=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
PSKGCVONMAJHTQ-UHFFFAOYSA-N
Molecular formula
C27H22ClN3O7
Average molar mass
535.9 g/mol

Names & identifiers

Preferred name
5-benzyl 1-(4-nitrophenyl) 6-(3-chlorophenyl)-2-methoxy-4-methyl-6H-pyrimidine-1,5-dicarboxylate
IUPAC
5-O-benzyl 3-O-(4-nitrophenyl) 4-(3-chlorophenyl)-2-methoxy-6-methyl-4H-pyrimidine-3,5-dicarboxylate

Names & synonyms

SCHEMBL6337588PSKGCVONMAJHTQ-UHFFFAOYSA-N5-benzyl 1-(4-nitrophenyl) 6-(3-chlorophenyl)-2-methoxy-4-methyl-6H-pyrimidine-1,5-dicarboxylate

Database identifiers

PubChem CID
69745932

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
123 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

Related reactions

1 records
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Compound notes

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