Basic information
- Standard SMILES
COc1cc(C)cc(C(=O)Cc2ccnc(SC)n2)c1- InChIKey
XRNGKMFOMOCRFV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09324893
Names & identifiers
- Preferred name
- 1-(3-Methoxy-5-methylphenyl)-2-(2-(methylthio)pyrimidin-4-yl)ethanone
- IUPAC
- 1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
Names & synonyms
1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone1-(3-methoxy-5-methylphenyl)-2-[2-methylsulfanylpyrimidin-4-yl)ethanoneSCHEMBL987167XRNGKMFOMOCRFV-UHFFFAOYSA-N1-(3-methoxy-5-methylphenyl)-2-(2-(methylthio)pyrimidin-4-yl)ethanone
Database identifiers
- PubChem CID
- 50898939
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
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