8-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
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Basic information
- Standard SMILES
CSc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2- InChIKey
MNSBNVRXHGSNND-UHFFFAOYSA-N- Molecular formula
- C21H16F3N3OS
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.0966178
Names & identifiers
- Preferred name
- 8-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
Names & synonyms
SCHEMBL1065104MNSBNVRXHGSNND-UHFFFAOYSA-N8-(2,6-difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one
Database identifiers
- PubChem CID
- 59639666
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
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Related reactions
6 records
Compound notes
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