Basic information
- Standard SMILES
OCCn1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c21- InChIKey
WQWRCOQKMRZSMY-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN4O2
- Average molar mass
- 412.8 g/mol
Names & identifiers
- Preferred name
- 2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
- IUPAC
- 2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
Names & synonyms
SCHEMBL2747956WQWRCOQKMRZSMY-UHFFFAOYSA-N2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethanol
Database identifiers
- PubChem CID
- 57597332
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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