2-thioxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,5,6-tetrahydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione

HCID 86685367
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Basic information

Standard SMILES
O=C1CCc2c([nH]c(=S)n(-c3ccc(OCC(F)(F)F)cc3)c2=O)N1
InChIKey
GDGNYXLEFNNXIR-UHFFFAOYSA-N
Molecular formula
C15H12F3N3O3S
Average molar mass
371.3 g/mol
Monoisotopic mass
371.05514691

Names & identifiers

Preferred name
2-thioxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,5,6-tetrahydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione
IUPAC
2-sulfanylidene-3-[4-(2,2,2-trifluoroethoxy)phenyl]-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Names & synonyms

2-thioxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,5,6-tetrahydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dioneSCHEMBL14957357

Database identifiers

PubChem CID
86685367

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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2-thioxo-3-[4-(2,2,2-trifluoroethoxy)phenyl]-2,3,5,6-tetrahydropyrido[2,3-d]pyrimidine-4,7(1H,8H)-dione (HCID 86685367)｜Huagongshe