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Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3cc(C#N)ccc3F)c2)CCN1C(=O)OCc1ccccc1- InChIKey
NFOULUXEJFHBDT-FQEVSTJZSA-N- Molecular formula
- C27H26FN3O2
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- Phenylmethyl (2S)-4-[(5'-cyano-2'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- benzyl (2S)-4-[[3-(5-cyano-2-fluorophenyl)phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1630598NFOULUXEJFHBDT-FQEVSTJZSA-NPhenylmethyl (2S)-4-[(5'-cyano-2'-fluoro-3-biphenylyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57730445
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
2 records
Compound notes
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