4,5-Dichloro-2-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-yl)benzoic acid

HCID 136388302
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Basic information

Standard SMILES
O=C(O)c1cc(Cl)c(Cl)cc1-c1nc2ccsc2c(=O)[nH]1
InChIKey
OHOASDXOFSFQGN-UHFFFAOYSA-N
Molecular formula
C13H6Cl2N2O3S
Average molar mass
341.2 g/mol

Names & identifiers

Preferred name
4,5-Dichloro-2-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-yl)benzoic acid
IUPAC
4,5-dichloro-2-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)benzoic acid

Names & synonyms

SCHEMBL4518930OHOASDXOFSFQGN-UHFFFAOYSA-N4,5-dichloro-2-(4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-yl)benzoic acid

Database identifiers

PubChem CID
136388302

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
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Compound notes

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