rel-(3R,5S,6E)-7-[5-(4-Fluorophenyl)-3-(1-methylethyl)-1-phenyl-1H-pyrazol-4-yl]-3,5-dihydroxy-6-heptenoic acid
Basic information
- CAS
105307-78-6- Standard SMILES
CC(C)c1nn(-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@H](O)C[C@H](O)CC(=O)O- InChIKey
FJBDYSRTNGPUEY-TVTVEFKISA-N- Molecular formula
- C25H27FN2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.19548551
Names & identifiers
- Preferred name
- rel-(3R,5S,6E)-7-[5-(4-Fluorophenyl)-3-(1-methylethyl)-1-phenyl-1H-pyrazol-4-yl]-3,5-dihydroxy-6-heptenoic acid
- IUPAC
- (E,3S,5R)-7-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid
Names & synonyms
DTXSID501108167105307-78-6rel-(3R,5S,6E)-7-[5-(4-Fluorophenyl)-3-(1-methylethyl)-1-phenyl-1H-pyrazol-4-yl]-3,5-dihydroxy-6-heptenoic acid
Database identifiers
- CAS
105307-78-6- PubChem CID
- 165367381
- DTXSID
DTXSID501108167
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…