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Basic information
- Standard SMILES
CC(=O)c1cccc(-c2cccc(Cn3c(=O)n(O)c(=O)c4sccc43)c2)c1- InChIKey
ZBMKYSWWAPOYTQ-UHFFFAOYSA-N- Molecular formula
- C21H16N2O4S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.08307817
Names & identifiers
- Preferred name
- 1-(3'-Acetyl-biphenyl-3-ylmethyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
- IUPAC
- 1-[[3-(3-acetylphenyl)phenyl]methyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL1890263ZBMKYSWWAPOYTQ-UHFFFAOYSA-N1-(3'-Acetyl-biphenyl-3-ylmethyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
Database identifiers
- PubChem CID
- 11625324
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
1 records
Compound notes
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