ChemSpider 2D Image | 2-{[4-(1,4-Diazepan-1-yl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one | C31H30N8O

2-{[4-(1,4-Diazepan-1-yl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one

  • Molecular FormulaC31H30N8O
  • Average mass530.623 Da
  • Monoisotopic mass530.254272 Da
  • ChemSpider ID9528007

More details:

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

2-{[4-(1,4-Diazepan-1-yl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-on [German] [ACD/IUPAC Name]
2-{[4-(1,4-Diazepan-1-yl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one [ACD/IUPAC Name]
2-{[4-(1,4-Diazépan-1-yl)phényl]amino}-6-(2,6-diméthylphényl)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-[[4-(hexahydro-1H-1,4-diazepin-1-yl)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: 834.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 458.2±37.1 °C
Index of Refraction: 1.746
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 28.41
Polar Surface Area: 91 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 382.7±7.0 cm3

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