3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carboxylic acid

HCID 86656487
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Basic information

Standard SMILES
O=C(O)c1cc(-c2cccc(Nc3nc4ccc(F)cc4s3)c2)no1
InChIKey
RYTKDZBNNNRGPD-UHFFFAOYSA-N
Molecular formula
C17H10FN3O3S
Average molar mass
355.3 g/mol

Names & identifiers

Preferred name
3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carboxylic acid
IUPAC
3-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]-1,2-oxazole-5-carboxylic acid

Names & synonyms

SCHEMBL2295352RYTKDZBNNNRGPD-UHFFFAOYSA-N3-[3-(6-Fluoro-benzothiazol-2-ylamino)-phenyl]-isoxazole-5-carboxylic acid

Database identifiers

PubChem CID
86656487

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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