ChemSpider 2D Image | 2-{[3-Chloro-4-(4-isopropyl-1-piperazinyl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one | C33H33ClN8O

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

  • Molecular FormulaC33H33ClN8O
  • Average mass593.121 Da
  • Monoisotopic mass592.246582 Da
  • ChemSpider ID9540291

More details:

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

2-{[3-Chlor-4-(4-isopropyl-1-piperazinyl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-on [German] [ACD/IUPAC Name]
2-{[3-Chloro-4-(4-isopropyl-1-piperazinyl)phenyl]amino}-6-(2,6-dimethylphenyl)pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one [ACD/IUPAC Name]
2-{[3-Chloro-4-(4-isopropyl-1-pipérazinyl)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, 2-[[3-chloro-4-[4-(1-methylethyl)-1-piperazinyl]phenyl]amino]-6-(2,6-dimethylphenyl)- [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: 823.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.9±37.1 °C
Index of Refraction: 1.722
Molar Refractivity: 169.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 352.45
ACD/KOC (pH 5.5): 546.96
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 17124.96
ACD/KOC (pH 7.4): 26576.37
Polar Surface Area: 82 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 428.3±7.0 cm3

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