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Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3ccc(F)c(C#N)c3)c2)CCN1C(=O)OC(C)(C)C- InChIKey
ZNJINBCRRNNKAN-KRWDZBQOSA-N- Molecular formula
- C24H28FN3O2
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.21655531
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (2S)-4-[(3'-cyano-4'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[[3-(3-cyano-4-fluorophenyl)phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1631044ZNJINBCRRNNKAN-KRWDZBQOSA-N1,1-Dimethylethyl (2S)-4-[(3'-cyano-4'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736702
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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