Methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
Basic information
- CAS
735339-99-8- Standard SMILES
COC(=O)c1ccc(COc2ncnc3sccc23)cc1- InChIKey
ISJKGLTUURFOAJ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3S
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.05686342
Names & identifiers
- Preferred name
- Methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
- IUPAC
- methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
Names & synonyms
methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoateMLS000771163CHEMBL1465790DTXSID101331358HMS2679J07AKOS016992746735339-99-8SMR000376015SR-01000045730SR-01000045730-1Z16164832Methyl 4-{[(thieno[2,3-d]pyrimidin-4-yl)oxy]methyl}benzoate
Database identifiers
- CAS
735339-99-8- PubChem CID
- 2469744
- DTXSID
DTXSID101331358- ChEMBL
CHEMBL1465790
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Solubility17 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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