ChemSpider 2D Image | Methyl 4-(10-benzyl-3-methyl-1-phenyl-4,10-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl)benzoate | C33H27N5O2

Methyl 4-(10-benzyl-3-methyl-1-phenyl-4,10-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl)benzoate

  • Molecular FormulaC33H27N5O2
  • Average mass525.600 Da
  • Monoisotopic mass525.216492 Da
  • ChemSpider ID4310166

More details:

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

4-(10-Benzyl-3-méthyl-1-phényl-4,10-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4,10-dihydro-3-methyl-1-phenyl-10-(phenylmethyl)-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl]-, methyl ester [ACD/Index Name]
Methyl 4-(10-benzyl-3-methyl-1-phenyl-4,10-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl)benzoate [ACD/IUPAC Name]
Methyl-4-(10-benzyl-3-methyl-1-phenyl-4,10-dihydro-1H-pyrazolo[3',4':4,5]pyrimido[1,2-a]benzimidazol-4-yl)benzoat [German] [ACD/IUPAC 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: 706.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 156.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8260.66
ACD/KOC (pH 5.5): 21762.51
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8783.92
ACD/KOC (pH 7.4): 23141.03
Polar Surface Area: 63 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

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