ChemSpider 2D Image | 6-(4-Chlorophenyl)-3-[2-(dimethylamino)-1-{3-[ethyl(methyl)amino]propyl}-1H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one | C27H29ClN6OS

6-(4-Chlorophenyl)-3-[2-(dimethylamino)-1-{3-[ethyl(methyl)amino]propyl}-1H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC27H29ClN6OS
  • Average mass521.077 Da
  • Monoisotopic mass520.181213 Da
  • ChemSpider ID25029131

More details:






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

6-(4-Chlorophenyl)-3-[2-(dimethylamino)-1-{3-[ethyl(methyl)amino]propyl}-1H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-(4-Chlorophényl)-3-[2-(diméthylamino)-1-{3-[éthyl(méthyl)amino]propyl}-1H-benzimidazol-5-yl]thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
6-(4-Chlorphenyl)-3-[2-(dimethylamino)-1-{3-[ethyl(methyl)amino]propyl}-1H-benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 6-(4-chlorophenyl)-3-[2-(dimethylamino)-1-[3-(ethylmethylamino)propyl]-1H-benzimidazol-5-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 695.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 11.01
ACD/KOC (pH 7.4): 44.17
Polar Surface Area: 85 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 394.3±7.0 cm3

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