ChemSpider 2D Image | 6-(2,6-Dimethylphenyl)-2-{[3-(4-methyl-1-piperazinyl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one | C31H30N8O

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

  • Molecular FormulaC31H30N8O
  • Average mass530.623 Da
  • Monoisotopic mass530.254272 Da
  • ChemSpider ID9436112

More details:

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

6-(2,6-Dimethylphenyl)-2-{[3-(4-methyl-1-piperazinyl)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-(4-methyl-1-piperazinyl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one [ACD/IUPAC Name]
6-(2,6-Diméthylphényl)-2-{[3-(4-méthyl-1-pipérazinyl)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-(4-methyl-1-piperazinyl)phenyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.3±37.1 °C
Index of Refraction: 1.737
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 14.99
ACD/KOC (pH 5.5): 62.61
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 670.00
ACD/KOC (pH 7.4): 2798.52
Polar Surface Area: 82 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 387.9±7.0 cm3

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