ChemSpider 2D Image | 2,2'-{[(4',6-Dimethoxy-3-biphenylyl)imino]bis(methylene)}bis(9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one) | C34H31N5O4

2,2'-{[(4',6-Dimethoxy-3-biphenylyl)imino]bis(methylene)}bis(9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one)

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID21877244

More details:

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

2,2'-{[(4',6-Dimethoxy-3-biphenylyl)imino]bis(methylene)}bis(9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one) [ACD/IUPAC Name]
2,2'-{[(4',6-Dimethoxy-3-biphenylyl)imino]dimethylen}bis(9-methyl-4H-pyrido[1,2-a]pyrimidin-4-on) [German] [ACD/IUPAC Name]
2,2'-{[(4',6-Diméthoxy-3-biphénylyl)imino]diméthylène}bis(9-méthyl-4H-pyrido[1,2-a]pyrimidin-4-one) [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,2'-[[(4',6-dimethoxy[1,1'-biphenyl]-3-yl)imino]bis(methylene)]bis[9-methyl- [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: 757.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.0±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 165.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 180.82
ACD/KOC (pH 5.5): 1311.61
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.90
ACD/KOC (pH 7.4): 1798.25
Polar Surface Area: 87 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 453.7±7.0 cm3

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