Basic information
- Standard SMILES
CN(Cc1cccc(Br)c1)C1CC(C(=O)N2CCN(c3ccccc3C#N)CC2)N(Cc2ccccc2)C1- InChIKey
KWICJQCUZVZKOP-UHFFFAOYSA-N- Molecular formula
- C31H34BrN5O
- Average molar mass
- 572.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-{1-Benzyl-4-[(3-bromo-benzyl)-methyl-amino]-pyrrolidine-2-carbonyl}-piperazin-1-yl)-benzonitrile
- IUPAC
- 2-[4-[1-benzyl-4-[(3-bromophenyl)methyl-methylamino]pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile
Names & synonyms
SCHEMBL2818206KWICJQCUZVZKOP-UHFFFAOYSA-N2-(4-{1-Benzyl-4-[(3-bromo-benzyl)-methyl-amino]-pyrrolidine-2-carbonyl}-piperazin-1-yl)-benzonitrile
Database identifiers
- PubChem CID
- 67546941
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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