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

HCID 59619374
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Basic information

Standard SMILES
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(N4CCN(C5CC5)CC4)cc3Cl)C[C@H]2C(=O)N2CC(F)(F)C2)CC1
InChIKey
XDCHQSDUXBGGMT-NJDAHSKKSA-N
Molecular formula
C27H32ClF2N5O4S
Average molar mass
596.1 g/mol

Names & identifiers

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

Names & synonyms

(1R,2R,4R)-4-[2-Chloro-4-(4-cyclopropyl-piperazin-1-yl)-benzenesulfonyl]-2-(3,3-difluoro-azetidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139176

Database identifiers

PubChem CID
59619374

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
122 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
40

Related reactions

1 records
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Compound notes

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