2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-3-(phenylmethyl)-6-(phenylthio)-
Basic information
- CAS
132885-45-1- Standard SMILES
Cc1c(Sc2ccccc2)n(COCCO)c(=O)n(Cc2ccccc2)c1=O- InChIKey
RFARVEIYSARPOC-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.13002836
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-3-(phenylmethyl)-6-(phenylthio)-
- IUPAC
- 3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
3-Bz-HEPT132885-45-12,4(1H,3H)-Pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-3-(phenylmethyl)-6-(phenylthio)-2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-3-(phenylmethyl)-6-(phenylthio)-CHEMBL29264SCHEMBL7219544DTXSID901578353-Benzyl-1-[(2-hydroxyethoxy)methyl]-6-phenylthiothymine3-benzyl-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione3-Benzyl-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
132885-45-1- PubChem CID
- 452956
- DTXSID
DTXSID90157835- ChEMBL
CHEMBL29264- Nikkaji
- J377.572K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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