5-cyano-N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-trityloxypropan-2-yloxy)pyrimidin-4-yl]furan-2-sulfonamide

HCID 178458993
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Basic information

Standard SMILES
CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(NS(=O)(=O)c2ccc(C#N)o2)nc(SCc2cccc(F)c2F)n1
InChIKey
KWNWFAMZWNKGKG-UHFFFAOYSA-N
Molecular formula
C38H30F2N4O5S2
Average molar mass
724.8 g/mol
Monoisotopic mass
724.16256874

Names & identifiers

IUPAC
5-cyano-N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-trityloxypropan-2-yloxy)pyrimidin-4-yl]furan-2-sulfonamide

Database identifiers

PubChem CID
76056951

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
161 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
14
Heavy atoms
51

Related reactions

2 records
New reaction record

Compound notes

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