Basic information
- Standard SMILES
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
FJLGEFLZQAZZCD-VAWYXSNFSA-N- Molecular formula
- C24H26FNO4
- Average molar mass
- 411.5 g/mol
Overview
7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid is a member of pyrroles.
Names & identifiers
- Preferred name
- (6E)-7-(3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid
- IUPAC
- (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Names & synonyms
CHEBI:38562(6E)-7-(3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidRefChem:9348821025085-49-77-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidSCHEMBL2848CHEMBL2220442CHEBI:95159(3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acidBDBM50622531EN300-295528
Show more names
Q27117899(6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoicacid7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid, sodium salt
Database identifiers
- PubChem CID
- 5353627
- ChEBI
CHEBI:95159
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
10 records
Linked notes
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