Basic information
- CAS
137897-93-9- Standard SMILES
CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O- InChIKey
MHEVAGSEJUCLJG-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O4S
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.0207836
Names & identifiers
- Preferred name
- 6-(3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)uracil
- IUPAC
- 6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Names & synonyms
5-Et-3',5'-DiClHEPT137897-93-96-(3,5-Dichlorophenyl)thio)-5-ethyl-1-((2-hydroxyethoxy)methyl)uracilCHEMBL4297786-(3,5-Dichlorophenyl)thio]-5-ethyl-1-[(2-hydroxyethoxy)methyl]uracilSCHEMBL8760134DTXSID50160385BDBM500082996-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dione6-[(3,5-Dichlorophenyl)sulfanyl]-5-ethyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
137897-93-9- PubChem CID
- 453733
- DTXSID
DTXSID50160385- ChEMBL
CHEMBL429778- Nikkaji
- J457.584I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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