3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-6-methoxybiphenyl-3-carboxylic acid

HCID 53390751
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Basic information

Standard SMILES
COc1ccc(C(=O)O)cc1-c1cccc(COc2ccc3c(=O)n(C4CCCC4)sc3c2)c1
InChIKey
HXORMJJDRQNAII-UHFFFAOYSA-N
Molecular formula
C27H25NO5S
Average molar mass
475.6 g/mol
Monoisotopic mass
475.14534407

Names & identifiers

Preferred name
3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-6-methoxybiphenyl-3-carboxylic acid
IUPAC
3-[3-[(2-cyclopentyl-3-oxo-1,2-benzothiazol-6-yl)oxymethyl]phenyl]-4-methoxybenzoic acid

Names & synonyms

SCHEMBL787404HXORMJJDRQNAII-UHFFFAOYSA-N3'-((2-Cyclopentyl-3-oxo-2,3-dihydrobenzo[d]isothiazol-6-yloxy)methyl)-6-methoxybiphenyl-3-carboxylic acid

Database identifiers

PubChem CID
53390751

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
34

Related reactions

1 records
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Compound notes

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