Basic information
- CAS
866588-16-1- Standard SMILES
Cc1cccc(COc2cc(C(C)(C)C)nn2Cc2ccc(COc3ccc(CCC(=O)O)c(F)c3)cc2)n1- InChIKey
VAIANYWMODJHRN-UHFFFAOYSA-N- Molecular formula
- C31H34FN3O4
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.25333474
Names & identifiers
- Preferred name
- 4-[[4-[[3-(1,1-Dimethylethyl)-5-[(6-methyl-2-pyridinyl)methoxy]-1H-pyrazol-1-yl]methyl]phenyl]methoxy]-2-fluorobenzenepropanoic acid
- IUPAC
- 3-[4-[[4-[[3-tert-butyl-5-[(6-methyl-2-pyridinyl)methoxy]pyrazol-1-yl]methyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
Names & synonyms
SCHEMBL2827555DTXSID5011021714-[[4-[[3-(1,1-Dimethylethyl)-5-[(6-methyl-2-pyridinyl)methoxy]-1H-pyrazol-1-yl]methyl]phenyl]methoxy]-2-fluorobenzenepropanoic acid866588-16-1
Database identifiers
- CAS
866588-16-1- PubChem CID
- 11670993
- DTXSID
DTXSID501102171
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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