ChemSpider 2D Image | 6-(2,6-Dimethylphenyl)-2-({3-methoxy-4-[(1-methyl-4-piperidinyl)methoxy]phenyl}amino)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one | C34H35N7O3

6-(2,6-Dimethylphenyl)-2-({3-methoxy-4-[(1-methyl-4-piperidinyl)methoxy]phenyl}amino)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one

  • Molecular FormulaC34H35N7O3
  • Average mass589.687 Da
  • Monoisotopic mass589.280151 Da
  • ChemSpider ID9332710

More details:

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

6-(2,6-Dimethylphenyl)-2-({3-methoxy-4-[(1-methyl-4-piperidinyl)methoxy]phenyl}amino)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-on [German] [ACD/IUPAC Name]
6-(2,6-Dimethylphenyl)-2-({3-methoxy-4-[(1-methyl-4-piperidinyl)methoxy]phenyl}amino)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one [ACD/IUPAC Name]
6-(2,6-Diméthylphényl)-2-({3-méthoxy-4-[(1-méthyl-4-pipéridinyl)méthoxy]phényl}amino)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one [French] [ACD/IUPAC Name]
Pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, 6-(2,6-dimethylphenyl)-2-[[3-methoxy-4-[(1-methyl-4-piperidinyl)methoxy]phenyl]amino]- [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: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.697
Molar Refractivity: 168.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 26.23
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 198.02
ACD/KOC (pH 7.4): 504.36
Polar Surface Area: 98 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 437.2±7.0 cm3

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