Basic information
- CAS
446870-48-0- Standard SMILES
COc1cccc(-n2cnc3sc(C)cc3c2=O)c1- InChIKey
AHVWYBKPFASMTI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2S
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.0619488
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one
Names & synonyms
3-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one446870-48-03-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-oneOprea1_576514MLS000708234CHEMBL1341991DTXSID701326129HMS2704H23STK869898AKOS000676114SMR000287701
Database identifiers
- CAS
446870-48-0- PubChem CID
- 899014
- DTXSID
DTXSID701326129- ChEMBL
CHEMBL1341991
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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