Basic information
- Standard SMILES
C[C@H](NC(c1ccccc1)C(C)(C)O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1- InChIKey
GJNGUXJVWPBIHU-PNNMLRIBSA-N- Molecular formula
- C27H29ClN2O
- Average molar mass
- 433 g/mol
Names & identifiers
- Preferred name
- 3-(1(S)-(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)benzonitrile
- IUPAC
- 3-[(2S,3S)-1-(4-chlorophenyl)-3-[(2-hydroxy-2-methyl-1-phenylpropyl)amino]butan-2-yl]benzonitrile
Names & synonyms
SCHEMBL4983740GJNGUXJVWPBIHU-PNNMLRIBSA-N3-(1(S)-(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)benzonitrile
Database identifiers
- PubChem CID
- 11212657
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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