7-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-2H-chromen-2-one
Basic information
- CAS
2744-51-6- Standard SMILES
CCN(CC)c1nc(Cl)nc(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1- InChIKey
WBYZQYLODKUONA-UHFFFAOYSA-N- Molecular formula
- C22H19ClN4O2
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1196536
Names & identifiers
- Preferred name
- 7-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-2H-chromen-2-one
- IUPAC
- 7-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenylchromen-2-one
- English name
- 2H-1-Benzopyran-2-one, 7-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-
- Molecular formula
- C22H19ClN4O2
- Molecular weight
- 406.86
Names & synonyms
DTXSID701135524AKOS0244215167-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-2H-chromen-2-one2744-51-67-[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-2H-1-benzopyran-2-one7-(4-CHLORO-6-DIETHYLAMINO-(1,3,5)TRIAZIN-2-YL)-3-PHENYL-CHROMEN-2-ONE2H-1-Benzopyran-2-one, 7-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-3-phenyl-
Database identifiers
- CAS
2744-51-6- PubChem CID
- 3393979
- DTXSID
DTXSID701135524- EC Number
- 104-545-6
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Boiling point
- 637 · 637.0±65.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 0.78 · 0.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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