Basic information
- Standard SMILES
CSc1ncc2cc(Br)c(=O)n(Cc3c(F)cccc3C3CC3)c2n1- InChIKey
BZADQJCYFHPBMB-UHFFFAOYSA-N- Molecular formula
- C18H15BrFN3OS
- Average molar mass
- 420.3 g/mol
Names & identifiers
- Preferred name
- 6-bromo-8-(2-cyclopropyl-6-fluorobenzyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 6-bromo-8-[(2-cyclopropyl-6-fluorophenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
Names & synonyms
SCHEMBL9988285BZADQJCYFHPBMB-UHFFFAOYSA-N6-bromo-8-(2-cyclopropyl-6-fluorobenzyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one6-bromo-8-(2-cyclopropyl-6-fluoro-benzyl)-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 67997307
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 558
Related reactions
2 records
Compound notes
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