Basic information
- CAS
109929-61-5- Standard SMILES
COc1ccc(CC(C#N)(c2ccccc2)c2cnccn2)cc1- InChIKey
MBIHAIPJVHGCKK-UHFFFAOYSA-N- Molecular formula
- C20H17N3O
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.13716217
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2-phenyl-2-(pyrazin-2-yl)propanenitrile
- IUPAC
- 3-(4-methoxyphenyl)-2-phenyl-2-pyrazin-2-ylpropanenitrile
Names & synonyms
DTXSID001188265109929-61-53-(4-Methoxyphenyl)-2-phenyl-2-(pyrazin-2-yl)propanenitrileI+/--[(4-Methoxyphenyl)methyl]-I+/--phenyl-2-pyrazineacetonitrile
Database identifiers
- CAS
109929-61-5- PubChem CID
- 3695573
- DTXSID
DTXSID001188265
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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