Basic information
- Standard SMILES
O=C1c2c(Cl)cccc2CN1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(Br)nc12- InChIKey
CVRADRCYYQMYBX-UHFFFAOYSA-N- Molecular formula
- C33H22BrClN4O
- Average molar mass
- 605.9 g/mol
Names & identifiers
- Preferred name
- 2-(2-bromo-5-trityl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-chloroisoindolin-1-one
- IUPAC
- 2-(2-bromo-5-tritylpyrrolo[2,3-b]pyrazin-7-yl)-7-chloro-3H-isoindol-1-one
Names & synonyms
SCHEMBL14331922CVRADRCYYQMYBX-UHFFFAOYSA-N2-(2-bromo-5-trityl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-chloroisoindolin-1-one2-(2-bromo-5-trityl-pyrrolo[2,3-b]pyrazin-7-yl)-7-chloro-isoindolin-1-one
Database identifiers
- PubChem CID
- 86676508
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 842
Related reactions
2 records
Compound notes
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