[(2S,4S)-1-Benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidin-2-yl]-[4-(4-ethoxy-phenyl)-piperazin-1-yl]-methanone

HCID 67546930

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Basic information

Standard SMILES: CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](NCc4ccc(F)cc4F)CN3Cc3ccccc3)CC2)cc1
InChIKey: RWXUCTPMSKPRNK-YZNIXAGQSA-N
Molecular formula: C31H36F2N4O2
Average molar mass: 534.6 g/mol

Names & identifiers

Preferred name: [(2S,4S)-1-Benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidin-2-yl]-[4-(4-ethoxy-phenyl)-piperazin-1-yl]-methanone
IUPAC: [(2S,4S)-1-benzyl-4-[(2,4-difluorophenyl)methylamino]pyrrolidin-2-yl]-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone

Names & synonyms

SCHEMBL2818184RWXUCTPMSKPRNK-YZNIXAGQSA-N[(2S,4S)-1-Benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidin-2-yl]-[4-(4-ethoxy-phenyl)-piperazin-1-yl]-methanone

Database identifiers

PubChem CID: 67546930

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 753

Related reactions

1 records

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HRID 490615As productuspto-grants-2009_05

Compound notes

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