Basic information
- CAS
355002-47-0- Standard SMILES
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl- InChIKey
JKZXJMIGHITRLL-UHFFFAOYSA-N- Molecular formula
- C20H15BrCl2N2O4S
- Average molar mass
- 530.2 g/mol
- Monoisotopic mass
- 527.9313
Names & identifiers
- Preferred name
- 5-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- IUPAC
- 5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C20H15BrCl2N2O4S
- Molecular weight
- 530.22
Names & synonyms
5-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione355002-47-0AK-968/13025247STL171859AKOS0038090525-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione5-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione4,6(1H,5H)-Pyrimidinedione, 5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylene]dihydro-2-thioxo-
Database identifiers
- CAS
355002-47-0- PubChem CID
- 1010746
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 4.79 · 4.79±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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