2-[(4-Chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
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Basic information
- CAS
303145-47-3- Standard SMILES
Cc1ccn2c(=O)nc(SCc3ccc(Cl)cc3)nc2c1- InChIKey
UFBGIEDDRYBQNW-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3OS
- Average molar mass
- 317.8 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
- IUPAC
- 2-[(4-chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
- English name
- 2-[(4-Chlorobenzyl)sulfanyl]-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one
- Molecular formula
- C15H12ClN3OS
- Molecular weight
- 317.79
Names & synonyms
303145-47-32-((4-Chlorobenzyl)sulfanyl)-8-methyl-4H-pyrido[1,2-a](1,3,5)triazin-4-one2-[(4-chlorobenzyl)sulfanyl]-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one2-[(4-chlorophenyl)methylsulfanyl]-8-methylpyrido[1,2-a][1,3,5]triazin-4-one2-{[(4-chlorophenyl)methyl]sulfanyl}-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one2-((4-chlorobenzyl)thio)-8-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-oneAKOS00507784811J-590SF2543-06344H-Pyrido[1,2-a]-1,3,5-triazin-4-one, 2-[[(4-chlorophenyl)methyl]thio]-8-methyl-
Database identifiers
- CAS
303145-47-3
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Boiling point
- 454.4 · 454.4±47.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -3.28 · -3.28±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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