6-bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]thieno[2,3-d]pyrimidin-4-amine;hydrochloride
Basic information
- CAS
833474-11-6- Standard SMILES
Cl.Fc1cccc(COc2ccc(Nc3ncnc4sc(Br)cc34)cc2Cl)c1- InChIKey
FLHXQMNVLGATAG-UHFFFAOYSA-N- Molecular formula
- C19H13BrCl2FN3OS
- Average molar mass
- 501.2 g/mol
- Monoisotopic mass
- 498.93238
Names & identifiers
- Preferred name
- 6-bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]thieno[2,3-d]pyrimidin-4-amine;hydrochloride
- IUPAC
- 6-bromo-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]thieno[2,3-d]pyrimidin-4-amine;hydrochloride
Names & synonyms
SCHEMBL6241661
Database identifiers
- CAS
833474-11-6- PubChem CID
- 69717540
Properties
Computed structural properties
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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