Basic information
- Standard SMILES
CC/C(=C(/c1ccc(C=O)cc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccc(Cl)cc1Cl- InChIKey
QGIAGXHODPAGKD-RMLRFSFXSA-N- Molecular formula
- C29H26Cl2N2O2
- Average molar mass
- 505.4 g/mol
- Monoisotopic mass
- 504.1371335
Names & identifiers
- Preferred name
- (E)-4-(2-(2,4-Dichlorophenyl)-1-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)but-1-en-1-yl)benzaldehyde
- IUPAC
- 4-[(E)-2-(2,4-dichlorophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]but-1-enyl]benzaldehyde
Names & synonyms
SCHEMBL767321QGIAGXHODPAGKD-RMLRFSFXSA-N(E)-4-(2-(2,4-Dichlorophenyl)-1-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)but-1-en-1-yl)benzaldehyde
Database identifiers
- PubChem CID
- 86663371
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 753
Related reactions
3 records
Compound notes
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