Basic information
- Standard SMILES
CSc1nc(C(F)(F)c2ccc(F)cn2)nc2c(C(N)=O)cccc12- InChIKey
BFDZJQFZCYNRNQ-UHFFFAOYSA-N- Molecular formula
- C16H11F3N4OS
- Average molar mass
- 364.3 g/mol
Names & identifiers
- Preferred name
- 2-(Difluoro(5-fluoropyridin-2-yl)methyl)-4-(methylthio)quinazoline-8-carboxamide
- IUPAC
- 2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-methylsulfanylquinazoline-8-carboxamide
Names & synonyms
2-(difluoro(5-fluoropyridin-2-yl)methyl)-4-(methylthio)quinazoline-8-carboxamideSCHEMBL161917
Database identifiers
- PubChem CID
- 66610045
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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