Basic information
- CAS
116392-88-2- Standard SMILES
O=c1ncc(Sc2ccccc2)cn1COCc1ccccc1- InChIKey
NQWRAKYPYLULBO-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.09324893
Names & identifiers
- Preferred name
- 1-[(Benzyloxy)methyl]-5-(phenylsulfanyl)pyrimidin-2(1H)-one
- IUPAC
- 1-(phenylmethoxymethyl)-5-phenylsulfanylpyrimidin-2-one
Names & synonyms
116392-88-2DTXSID005515221-[(Benzyloxy)methyl]-5-(phenylsulfanyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
116392-88-2- PubChem CID
- 13865834
- DTXSID
DTXSID00551522
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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