ChemSpider 2D Image | N-(4-Chloro-2,5-dimethoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,10,10a-tetrahydropyrimido[1,2-a]benzimidazole-3-carboxamide | C27H24ClN5O7

N-(4-Chloro-2,5-dimethoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,10,10a-tetrahydropyrimido[1,2-a]benzimidazole-3-carboxamide

  • Molecular FormulaC27H24ClN5O7
  • Average mass565.962 Da
  • Monoisotopic mass565.136414 Da
  • ChemSpider ID110064519

More details:

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

N-(4-Chlor-2,5-dimethoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,10,10a-tetrahydropyrimido[1,2-a]benzimidazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(4-Chloro-2,5-dimethoxyphenyl)-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,10,10a-tetrahydropyrimido[1,2-a]benzimidazole-3-carboxamide [ACD/IUPAC Name]
N-(4-Chloro-2,5-diméthoxyphényl)-2-méthyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,10,10a-tétrahydropyrimido[1,2-a]benzimidazole-3-carboxamide [French] [ACD/IUPAC Name]
Pyrimido[1,2-a]benzimidazole-3-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-1,4,10,10a-tetrahydro-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 785.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.1±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2053.31
ACD/KOC (pH 5.5): 7955.50
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2259.73
ACD/KOC (pH 7.4): 8755.27
Polar Surface Area: 139 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

Click to predict properties on the Chemicalize site


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