3-(4-Hydroxyphenyl)-7-[2-hydroxy-3-({[3-(trifluoromethyl)phenyl]methyl}amino)propoxy]chromen-4-one
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Basic information
- Standard SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(OCC(O)CNCc3cccc(C(F)(F)F)c3)ccc12- InChIKey
YBSGKKITPLSUPH-UHFFFAOYSA-N- Molecular formula
- C26H22F3NO5
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)-7-[2-hydroxy-3-({[3-(trifluoromethyl)phenyl]methyl}amino)propoxy]chromen-4-one
- IUPAC
- 3-(4-hydroxyphenyl)-7-[2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]chromen-4-one
Names & synonyms
3-(4-hydroxyphenyl)-7-[2-hydroxy-3-({[3-(trifluoromethyl)phenyl]methyl}amino)propoxy]chromen-4-oneSCHEMBL2108824
Database identifiers
- PubChem CID
- 59660643
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 737
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Related reactions
2 records
Compound notes
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