(1R,2R,4R)-4-[4-(4-Acetyl-piperazin-1-yl)-2-chloro-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide

HCID 59619378
NotesReactions
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Basic information

Standard SMILES
CC(=O)N1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)[C@H](C(=O)N4CC(F)(F)C4)C3)c(Cl)c2)CC1
InChIKey
SYKDQJCKUFWXJL-VAMGGRTRSA-N
Molecular formula
C26H30ClF2N5O5S
Average molar mass
598.1 g/mol

Names & identifiers

Preferred name
(1R,2R,4R)-4-[4-(4-Acetyl-piperazin-1-yl)-2-chloro-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
IUPAC
(1R,2R,4R)-4-[4-(4-acetylpiperazin-1-yl)-2-chlorophenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-(3,3-difluoroazetidine-1-carbonyl)cyclopentane-1-carboxamide

Names & synonyms

(1R,2R,4R)-4-[4-(4-Acetyl-piperazin-1-yl)-2-chloro-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139036

Database identifiers

PubChem CID
59619378

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
139 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
40

Related reactions

1 records
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Compound notes

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