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Basic information
- Standard SMILES
COC(=O)c1ccc2cc(-c3nc(Cl)ncc3Cl)sc2c1- InChIKey
KWPDOYBIQDYAFZ-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2O2S
- Average molar mass
- 339.2 g/mol
Names & identifiers
- Preferred name
- 2-(2,5-Dichloro-pyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid methyl ester
- IUPAC
- methyl 2-(2,5-dichloropyrimidin-4-yl)-1-benzothiophene-6-carboxylate
Names & synonyms
SCHEMBL3965404KWPDOYBIQDYAFZ-UHFFFAOYSA-N2-(2,5-dichloro-pyrimidin-4-yl)-benzo[b]thiophene-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 86625366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
2 records
Compound notes
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