Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCOC1CCCCO1- InChIKey
WFFIRLFUXHWJSW-RVDMUPIBSA-N- Molecular formula
- C30H35FN2O7
- Average molar mass
- 554.6 g/mol
Names & identifiers
- Preferred name
- 3-[(E)-2-(4-Fluorophenyl)-vinyl]-4-[2-(tetrahydropyran-2-yloxy)-ethoxy]-1H-indazole-1,5-dicarboxylic Acid 1-tert-butyl Ester 5-ethyl Ester
- IUPAC
- 1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[2-(oxan-2-yloxy)ethoxy]indazole-1,5-dicarboxylate
Names & synonyms
SCHEMBL4152097WFFIRLFUXHWJSW-RVDMUPIBSA-N3-[(E)-2-(4-Fluorophenyl)-vinyl]-4-[2-(tetrahydropyran-2-yloxy)-ethoxy]-1H-indazole-1,5-dicarboxylic Acid 1-tert-butyl Ester 5-ethyl Ester
Database identifiers
- PubChem CID
- 59797111
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 857
Related reactions
2 records
Compound notes
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