2-(allylsulfanyl)-3-(2,4-dichloro-5-methoxyphenyl)-4(3H)-quinazolinone
Basic information
- CAS
339015-52-0- Standard SMILES
C=CCSc1nc2ccccc2c(=O)n1-c1cc(OC)c(Cl)cc1Cl- InChIKey
GYLPDPYAKXZPOO-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O2S
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- 2-(allylsulfanyl)-3-(2,4-dichloro-5-methoxyphenyl)-4(3H)-quinazolinone
- IUPAC
- 3-(2,4-dichloro-5-methoxyphenyl)-2-prop-2-enylsulfanylquinazolin-4-one
- English name
- 2-(Allylsulfanyl)-3-(2,4-dichloro-5-methoxyphenyl)-4(3H)-quinazolinone
- Molecular formula
- C18H14Cl2N2O2S
- Molecular weight
- 393.29
Names & synonyms
339015-52-02-(allylsulfanyl)-3-(2,4-dichloro-5-methoxyphenyl)-4(3H)-quinazolinone3-(2,4-dichloro-5-methoxyphenyl)-2-prop-2-enylsulfanylquinazolin-4-one3-(2,4-dichloro-5-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-oneBionet1_002451Oprea1_438148HMS575G13AKOS0051006877L-545S4(3H)-Quinazolinone, 3-(2,4-dichloro-5-methoxyphenyl)-2-(2-propen-1-ylthio)-
Database identifiers
- CAS
339015-52-0
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Boiling point
- 548.4 · 548.4±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -2 · -2+-.0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…