7-(4-Cyclopropyl-2-fluoro-phenylamino)-benzo[d]isothiazole-6-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide

HCID 44603268
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Basic information

Standard SMILES
O=C(NOC[C@H](O)CO)c1ccc2cnsc2c1Nc1ccc(C2CC2)cc1F
InChIKey
JKTVFQGPPKJXHP-CQSZACIVSA-N
Molecular formula
C20H20FN3O4S
Average molar mass
417.5 g/mol

Names & identifiers

Preferred name
7-(4-Cyclopropyl-2-fluoro-phenylamino)-benzo[d]isothiazole-6-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide
IUPAC
7-(4-cyclopropyl-2-fluoroanilino)-N-[(2R)-2,3-dihydroxypropoxy]-1,2-benzothiazole-6-carboxamide

Names & synonyms

SCHEMBL2293138JKTVFQGPPKJXHP-CQSZACIVSA-N7-(4-Cyclopropyl-2-fluoro-phenylamino)-benzo[d]isothiazole-6-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide

Database identifiers

PubChem CID
44603268

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
132 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
29

Related reactions

1 records
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Compound notes

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