Basic information
- CAS
136160-44-6- Standard SMILES
CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=O)[nH]c1=O- InChIKey
PVSRCWRWAQNSOL-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.13511374
Names & identifiers
- Preferred name
- 5-Ethyl-1-((phenethyloxy)methyl)-6-(phenylthio)uracil
- IUPAC
- 5-ethyl-1-(2-phenylethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
136160-44-61-PhEtOMe-6PhS-5Et U5-Ethyl-1-((phenethyloxy)methyl)-6-(phenylthio)uracilCHEMBL1329775-Ethyl-1-(phenethoxymethyl)-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione5-Ethyl-1-[(phenethyloxy)methyl]-6-(phenylthio)uracilDTXSID40159723BDBM500041225-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione5-Ethyl-1-phenethyloxymethyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione5-Ethyl-1-[(2-phenylethoxy)methyl]-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-44-6- PubChem CID
- 454563
- DTXSID
DTXSID40159723- ChEMBL
CHEMBL132977- Nikkaji
- J522.709G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…