ChemSpider 2D Image | 3-{[(3-Chlorophenyl)imino]methyl}-7-methyl-2-[(4-methylphenyl)sulfanyl]-4H-pyrido[1,2-a]pyrimidin-4-one | C23H18ClN3OS

3-{[(3-Chlorophenyl)imino]methyl}-7-methyl-2-[(4-methylphenyl)sulfanyl]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H18ClN3OS
  • Average mass419.927 Da
  • Monoisotopic mass419.085907 Da
  • ChemSpider ID35455374

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-{[(3-Chlorophenyl)imino]methyl}-7-methyl-2-[(4-methylphenyl)sulfanyl]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-{[(3-Chlorophényl)imino]méthyl}-7-méthyl-2-[(4-méthylphényl)sulfanyl]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-{[(3-Chlorphenyl)imino]methyl}-7-methyl-2-[(4-methylphenyl)sulfanyl]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[[(3-chlorophenyl)imino]methyl]-7-methyl-2-[(4-methylphenyl)thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 556.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3215.26
ACD/KOC (pH 5.5): 11273.39
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3215.39
ACD/KOC (pH 7.4): 11273.86
Polar Surface Area: 70 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 328.2±7.0 cm3

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