5-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
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Basic information
- CAS
478079-04-8- Standard SMILES
CN1C(=O)C(=Cc2c(OCc3cnc(Cl)s3)ccc3ccccc23)C(=O)N(C)C1=O- InChIKey
YFGYNPKWBYVYSW-UHFFFAOYSA-N- Molecular formula
- C21H16ClN3O4S
- Average molar mass
- 441.9 g/mol
Names & identifiers
- Preferred name
- 5-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-[[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-((2-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C21H16ClN3O4S
- Molecular weight
- 441.89
Names & synonyms
478079-04-85-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl}methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione5-[[2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione5-({2-[(2-chloro-1,3-thiazol-5-yl)methoxy]naphthalen-1-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trioneMLS000706994CHEMBL1344119HMS2681G20AKOS005101586SMR0003358257R-06005-((2-[(2-Chloro-1,3-thiazol-5-yl)methoxy]-1-naphthyl)methylene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[2-[(2-chloro-5-thiazolyl)methoxy]-1-naphthalenyl]methylene]-1,3-dimethyl-
Database identifiers
- CAS
478079-04-8- ChEMBL
CHEMBL1344119
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 636.3 · 636.3±65.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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