Basic information
- Standard SMILES
Cc1c(SCc2ccc(-c3ccccc3)cc2)[nH]c(=O)n(Cc2ccccc2)c1=O- InChIKey
HTRYBPCDJUJTBW-UHFFFAOYSA-N- Molecular formula
- C25H22N2O2S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.14019912
Names & identifiers
- Preferred name
- 3-benzyl-6-(biphenyl-4-ylmethylsulfanyl)-5-methyl-1H-pyrimidine-2,4-dione
- IUPAC
- 3-benzyl-5-methyl-6-[(4-phenylphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
Names & synonyms
SCHEMBL5255098HTRYBPCDJUJTBW-UHFFFAOYSA-N3-benzyl-6-(biphenyl-4-ylmethylsulfanyl)-5-methyl-1H-pyrimidine-2,4-dione
Database identifiers
- PubChem CID
- 21073997
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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