[4-[2-(4-Azidobenzoylamino)ethylamino]-5-(4-fluorophenylcarbamoyl)pyrimidin-2-ylsulfanyl]acetic acid

HCID 21087397
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Basic information

Standard SMILES
[N-]=[N+]=Nc1ccc(C(=O)NCCNc2nc(SCC(=O)O)ncc2C(=O)Nc2ccc(F)cc2)cc1
InChIKey
KDCWKAGBCRRSMD-UHFFFAOYSA-N
Molecular formula
C22H19FN8O4S
Average molar mass
510.5 g/mol
Monoisotopic mass
510.12340045

Names & identifiers

Preferred name
[4-[2-(4-Azidobenzoylamino)ethylamino]-5-(4-fluorophenylcarbamoyl)pyrimidin-2-ylsulfanyl]acetic acid
IUPAC
2-[4-[2-[(4-azidobenzoyl)amino]ethylamino]-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetic acid

Names & synonyms

KDCWKAGBCRRSMD-UHFFFAOYSA-N[4-[2-(4-Azidobenzoylamino)ethylamino]-5-(4-fluorophenylcarbamoyl)pyrimidin-2-ylsulfanyl]acetic acid

Database identifiers

PubChem CID
21087397

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
173 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
36

Related reactions

2 records
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Compound notes

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