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3-[4-(6-Isopropylsulfanyl-pyridin-2-ylmethoxy)-3-methoxy-phenyl]-propionic acid

HCID 74222706
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1cc(CCC(=O)O)ccc1OCc1cccc(SC(C)C)n1
InChIKey
SNBWUJVUZNFHCO-UHFFFAOYSA-N
Molecular formula
C19H23NO4S
Average molar mass
361.5 g/mol

Names & identifiers

Preferred name
3-[4-(6-Isopropylsulfanyl-pyridin-2-ylmethoxy)-3-methoxy-phenyl]-propionic acid
IUPAC
3-[3-methoxy-4-[(6-propan-2-ylsulfanyl-2-pyridinyl)methoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL15668920SNBWUJVUZNFHCO-UHFFFAOYSA-N3-[4-(6-isopropylsulfanyl-pyridin-2-ylmethoxy)-3-methoxy-phenyl]-propionic acid

Database identifiers

PubChem CID
74222706

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
94 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
407

Related reactions

1 records
New reaction record
HRID 62951 reaction equation
HRID 62951As productuspto-grants-2016_09

Compound notes

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