5-[(3-Chloro-4-prop-2-enoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Basic information
- CAS
722466-65-1- Standard SMILES
C=CCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(OCCC)c(OC)c3)C2=O)cc1Cl- InChIKey
RRGGTOIMLLQVAU-UHFFFAOYSA-N- Molecular formula
- C25H25ClN2O6
- Average molar mass
- 484.9 g/mol
- Monoisotopic mass
- 484.1401142
Names & identifiers
- Preferred name
- 5-[(3-Chloro-4-prop-2-enoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
- English name
- 5-[4-(allyloxy)-3-chlorobenzylidene]-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C25H25ClN2O6
- Molecular weight
- 484.93
Names & synonyms
5-[4-(allyloxy)-3-chlorobenzylidene]-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
722466-65-1- PubChem CID
- 3428100
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Density
- 1.296 · 1.296±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.967 · 7.967±0.20(predicted)
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Compound notes
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