Basic information
- Standard SMILES
BrCc1ccc2nn(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(Br)c2c1- InChIKey
ATQDPHWPWVLEHP-UHFFFAOYSA-N- Molecular formula
- C34H24Br2N6
- Average molar mass
- 676.4 g/mol
- Monoisotopic mass
- 674.04292
Names & identifiers
- Preferred name
- 5-[2-(3-bromo-5-(bromomethyl)-2H-indazol-2-yl)phenyl]-2-(triphenylmethyl)-2H-tetrazol
- IUPAC
- 3-bromo-5-(bromomethyl)-2-[2-(2-trityltetrazol-5-yl)phenyl]indazole
Names & synonyms
SCHEMBL9135115ATQDPHWPWVLEHP-UHFFFAOYSA-N5-[2-(3-bromo-5-(bromomethyl)-2H-indazol-2-yl)phenyl]-2-(triphenylmethyl)-2H-tetrazol
Database identifiers
- PubChem CID
- 20094545
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 813
Related reactions
2 records
Compound notes
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