Basic information
- Standard SMILES
CN1CCCn2c1cc(OCc1ccc(Oc3ccc(Cl)c(Cl)c3)cc1)nc2=O- InChIKey
COCZEUGFFRDLLU-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2N3O3
- Average molar mass
- 432.3 g/mol
- Monoisotopic mass
- 431.0803469
Names & identifiers
- Preferred name
- 8-((4-(3,4-dichlorophenoxy)benzyl)oxy)-1-methyl-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
- IUPAC
- 8-[[4-(3,4-dichlorophenoxy)phenyl]methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
Names & synonyms
SCHEMBL14656283COCZEUGFFRDLLU-UHFFFAOYSA-N8-((4-(3,4-dichlorophenoxy)benzyl)oxy)-1-methyl-3,4-dihydro-1H-pyrimido[1,6-a]pyrimidin-6(2H)-one
Database identifiers
- PubChem CID
- 71236672
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
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