4-(3-Benzyloxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

HCID 69047005
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Basic information

Standard SMILES
CNS(=O)(=O)c1cc(-c2cc(CCCOCc3ccccc3)nc(C#N)n2)cc(C(F)(F)F)c1
InChIKey
VZJKTZBXYAGAME-UHFFFAOYSA-N
Molecular formula
C23H21F3N4O3S
Average molar mass
490.5 g/mol
Monoisotopic mass
490.1286462

Names & identifiers

Preferred name
4-(3-Benzyloxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile
IUPAC
3-[2-cyano-6-(3-phenylmethoxypropyl)pyrimidin-4-yl]-N-methyl-5-(trifluoromethyl)benzenesulfonamide

Names & synonyms

4-(3-benzyloxy-propyl)-6-(3-methylsulphamoyl-5-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrileSCHEMBL4444062

Database identifiers

PubChem CID
69047005

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
113 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
34

Related reactions

4 records
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Compound notes

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