Basic information
- Standard SMILES
CSc1ncc(C=O)c(Nc2cc(NC(=O)OC(C)(C)C)ccc2F)n1- InChIKey
XHHDJQCSCJQPDO-UHFFFAOYSA-N- Molecular formula
- C17H19FN4O3S
- Average molar mass
- 378.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (4-fluoro-3-((5-formyl-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate
- IUPAC
- tert-butyl N-[4-fluoro-3-[(5-formyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamate
Names & synonyms
SCHEMBL16001211XHHDJQCSCJQPDO-UHFFFAOYSA-Ntert-butyl (4-fluoro-3-((5-formyl-2-(methylthio)pyrimidin-4-yl)amino)phenyl)carbamate
Database identifiers
- PubChem CID
- 86732013
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Related reactions
2 records
Compound notes
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