2-(5-carboxymethylthio-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

HCID 13454494
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Basic information

Standard SMILES
O=C(O)CSc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
InChIKey
MFCVDBZGYBLBIZ-UHFFFAOYSA-N
Molecular formula
C16H13ClFNO4S
Average molar mass
369.8 g/mol

Names & identifiers

Preferred name
2-(5-carboxymethylthio-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione
IUPAC
2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenyl]sulfanylacetic acid

Names & synonyms

SCHEMBL9266589MFCVDBZGYBLBIZ-UHFFFAOYSA-N2-(5-carboxymethylthio-4-chloro -2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione

Database identifiers

PubChem CID
13454494

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
100 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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2-(5-carboxymethylthio-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-2H-isoindole-1,3-dione (HCID 13454494)｜Huagongshe