4-[4-(4-Fluorobenzylamino)-6-nitro-thieno-[2,3-d]-pyrimidin-2-yl]-benzoic acid methylester

HCID 23289808
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Basic information

Standard SMILES
COC(=O)c1ccc(-c2nc(NCc3ccc(F)cc3)c3cc([N+](=O)[O-])sc3n2)cc1
InChIKey
OQLMXNVUSJJWLJ-UHFFFAOYSA-N
Molecular formula
C21H15FN4O4S
Average molar mass
438.4 g/mol

Names & identifiers

Preferred name
4-[4-(4-Fluorobenzylamino)-6-nitro-thieno-[2,3-d]-pyrimidin-2-yl]-benzoic acid methylester
IUPAC
methyl 4-[4-[(4-fluorophenyl)methylamino]-6-nitrothieno[2,3-d]pyrimidin-2-yl]benzoate

Names & synonyms

SCHEMBL8177976OQLMXNVUSJJWLJ-UHFFFAOYSA-N4-[4-(4-fluorobenzylamino)-6-nitro-thieno-[2,3-d]-pyrimidin-2-yl]-benzoic acid methylester

Database identifiers

PubChem CID
23289808

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
138 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
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Compound notes

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