Basic information
- Standard SMILES
O=C(O)Cc1ccc(COc2cccc(-c3c(CO)cnc4c(C(F)(F)F)cccc34)c2)cc1- InChIKey
VJGYPQCLZKIVNK-UHFFFAOYSA-N- Molecular formula
- C26H20F3NO4
- Average molar mass
- 467.4 g/mol
Names & identifiers
- Preferred name
- [4-({3-[3-(Hydroxymethyl)-8-(Trifluoromethyl)Quinolin-4-yl]Phenoxy}Methyl)Phenyl]Acetic Acid
- IUPAC
- 2-[4-[[3-[3-(hydroxymethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
Names & synonyms
[4-({3-[3-(Hydroxymethyl)-8-(Trifluoromethyl)Quinolin-4-yl]Phenoxy}Methyl)Phenyl]Acetic AcidSCHEMBL1124826
Database identifiers
- PubChem CID
- 66913623
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 667
Related reactions
2 records
Compound notes
Loading…