N-[(2-{3-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-oxo-propyl}-5-methyl-phenoxy)-acetyl]-methanesulfonamide

HCID 69655596
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Basic information

Standard SMILES
Cc1ccc(CCC(=O)N2C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]2C)c(OCC(=O)NS(C)(=O)=O)c1
InChIKey
CSUBFTSUJBXGGL-VQTJNVASSA-N
Molecular formula
C26H34FN3O5S
Average molar mass
519.6 g/mol

Names & identifiers

Preferred name
N-[(2-{3-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-oxo-propyl}-5-methyl-phenoxy)-acetyl]-methanesulfonamide
IUPAC
2-[2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-3-oxopropyl]-5-methylphenoxy]-N-methylsulfonylacetamide

Names & synonyms

SCHEMBL6076902CSUBFTSUJBXGGL-VQTJNVASSA-NN-[(2-{3-[4-(4-Fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-3-oxo-propyl}-5-methyl-phenoxy)-acetyl]-methanesulfonamide

Database identifiers

PubChem CID
69655596

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
36

Related reactions

1 records
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Compound notes

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