2-[3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

HCID 14014246
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Basic information

Standard SMILES
CCOC(=O)Cn1c(=O)sc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIKey
NKAVRMBUFQVXQE-UHFFFAOYSA-N
Molecular formula
C19H17FN2O5S
Average molar mass
404.4 g/mol

Names & identifiers

Preferred name
2-[3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
IUPAC
ethyl 2-[5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-6-fluoro-2-oxo-1,3-benzothiazol-3-yl]acetate

Names & synonyms

SCHEMBL10365355NKAVRMBUFQVXQE-UHFFFAOYSA-N2-[3-ethoxycarbonylmethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

Database identifiers

PubChem CID
14014246

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
109 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

3 records
New reaction record

Compound notes

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