(3-Chloro-4-(5-fluoro-2-benzothiazolyl)aminophenyl)acetic acid

HCID 17858868
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Basic information

CAS
441715-03-3
Standard SMILES
O=C(O)Cc1ccc(Nc2nc3cc(F)ccc3s2)c(Cl)c1
InChIKey
MYLIVPHHOPVUJZ-UHFFFAOYSA-N
Molecular formula
C15H10ClFN2O2S
Average molar mass
336.8 g/mol
Monoisotopic mass
336.01355446

Names & identifiers

Preferred name
(3-Chloro-4-(5-fluoro-2-benzothiazolyl)aminophenyl)acetic acid
IUPAC
2-[3-chloro-4-[(5-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]acetic acid

Names & synonyms

SCHEMBL2433405MYLIVPHHOPVUJZ-UHFFFAOYSA-NDTXSID501175889(3-chloro-4-(5-fluoro-2-benzothiazolyl)aminophenyl)acetic acid441715-03-33-Chloro-4-[(5-fluoro-2-benzothiazolyl)amino]benzeneacetic acid{3-Chloro-4-[(5-fluoro-1,3-benzothiazol-2-yl)amino]phenyl}acetic acid

Database identifiers

CAS
441715-03-3
PubChem CID
17858868
DTXSID
DTXSID501175889

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
90.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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