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Basic information
- Standard SMILES
CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
FJLGEFLZQAZZCD-UHFFFAOYSA-N- Molecular formula
- C24H26FNO4
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.18458647
Names & identifiers
- Preferred name
- 7-[3-(4-Fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid
- IUPAC
- 7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Names & synonyms
XU 62-320 (free acid)SCHEMBL464787SCHEMBL628757CHEMBL2140067FJLGEFLZQAZZCD-UHFFFAOYSA-NQ271669567-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid(+/-)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid
Database identifiers
- PubChem CID
- 3403
- ChEMBL
CHEMBL2140067
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
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Compound notes
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