Basic information
- Standard SMILES
OCCCCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21- InChIKey
MHJBSGVISQZKDI-UHFFFAOYSA-N- Molecular formula
- C24H22ClF3N4O2
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.1383381
Names & identifiers
- Preferred name
- 5-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]pentan-1-ol
- IUPAC
- 5-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]pentan-1-ol
Names & synonyms
CHEMBL19230125-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]pentan-1-olSCHEMBL2748905BDBM50358457
Database identifiers
- PubChem CID
- 56850806
- ChEMBL
CHEMBL1923012
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 632
Related reactions
2 records
Compound notes
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