ChemSpider 2D Image | 2-(Benzylsulfanyl)-3-{(E)-[(3-chlorophenyl)imino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | C23H18ClN3OS

2-(Benzylsulfanyl)-3-{(E)-[(3-chlorophenyl)imino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC23H18ClN3OS
  • Average mass419.927 Da
  • Monoisotopic mass419.085907 Da
  • ChemSpider ID21824913

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(Benzylsulfanyl)-3-{(E)-[(3-chlorophenyl)imino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-(Benzylsulfanyl)-3-{(E)-[(3-chlorophényl)imino]méthyl}-9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-3-{(E)-[(3-chlorphenyl)imino]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[(E)-[(3-chlorophenyl)imino]methyl]-9-methyl-2-[(phenylmethyl)thio]- [ACD/Index Name]
(E)-2-(benzylthio)-3-(((3-chlorophenyl)imino)methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
2-Benzylsulfanyl-3-[(3-chloro-phenylimino)-methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.7±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3574.32
ACD/KOC (pH 5.5): 12160.78
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3574.56
ACD/KOC (pH 7.4): 12161.59
Polar Surface Area: 70 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 329.0±7.0 cm3

Click to predict properties on the Chemicalize site


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