tert-butyl (4-fluoro-3-(2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

HCID 86732014
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Basic information

Standard SMILES
CSc1ncc2ccc(=O)n(-c3cc(NC(=O)OC(C)(C)C)ccc3F)c2n1
InChIKey
IWJGDYLKQYTEFD-UHFFFAOYSA-N
Molecular formula
C19H19FN4O3S
Average molar mass
402.4 g/mol

Names & identifiers

Preferred name
tert-butyl (4-fluoro-3-(2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
IUPAC
tert-butyl N-[4-fluoro-3-(2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate

Names & synonyms

SCHEMBL16001213IWJGDYLKQYTEFD-UHFFFAOYSA-Ntert-butyl (4-fluoro-3-(2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

Database identifiers

PubChem CID
86732014

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
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Compound notes

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