(1R,2R)-2-({4'-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-3'-fluoro-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid

HCID 11466071
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Basic information

Standard SMILES
O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(Cl)cc4s3)c(F)c2)cc1
InChIKey
HITYXDZJGZIFET-RTBURBONSA-N
Molecular formula
C26H20ClFN2O3S
Average molar mass
495 g/mol

Names & identifiers

Preferred name
(1R,2R)-2-({4'-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-3'-fluoro-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid
IUPAC
trans-(1R,2R)-2-[4-[4-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-fluorophenyl]benzoyl]cyclopentane-1-carboxylic acid

Names & synonyms

SCHEMBL1748252HITYXDZJGZIFET-RTBURBONSA-N(1R,2R)-2-({4'-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-3'-fluoro-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid

Database identifiers

PubChem CID
11466071

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

4 records
New reaction record

Linked notes

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(1R,2R)-2-({4'-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-3'-fluoro-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid (HCID 11466071)｜Huagongshe