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Basic information
- Standard SMILES
COc1ccc2c(=O)n(-c3ccc(OCC(F)(F)F)cc3)c(SC)nc2n1- InChIKey
FNJXBCBGVIZWQC-UHFFFAOYSA-N- Molecular formula
- C17H14F3N3O3S
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 7-methoxy-2-(methylsulfanyl)-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 7-methoxy-2-methylsulfanyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-4-one
Names & synonyms
7-methoxy-2-(methylsulfanyl)-3-[4-(2,2,2-trifluoroethoxy)phenyl]pyrido[2,3-d]pyrimidin-4(3H)-oneSCHEMBL10042031
Database identifiers
- PubChem CID
- 68015331
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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