5-amino-3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolone

HCID 14014245

Basic information

Standard SMILES
CCOC(=O)Cn1c(=O)sc2cc(F)c(N)cc21
InChIKey
XDHGRGLXYSTGCS-UHFFFAOYSA-N
Molecular formula
C11H11FN2O3S
Average molar mass
270.28 g/mol

Names & identifiers

Preferred name
5-amino-3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolone
IUPAC
ethyl 2-(5-amino-6-fluoro-2-oxo-1,3-benzothiazol-3-yl)acetate

Names & synonyms

SCHEMBL10365806XDHGRGLXYSTGCS-UHFFFAOYSA-N5-amino-3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolone5-Amino-3-ethoxycarbonylmethyl-6-fluoro-2(3H)benzothiazolone

Database identifiers

PubChem CID
14014245

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
97.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

6 records

Compound notes

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