ChemSpider 2D Image | 2-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamoyl}phenyl)-N-(4-phenylbutyl)-5-pyrimidinecarboxamide | C33H36N4O4

2-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamoyl}phenyl)-N-(4-phenylbutyl)-5-pyrimidinecarboxamide

  • Molecular FormulaC33H36N4O4
  • Average mass552.663 Da
  • Monoisotopic mass552.273682 Da
  • ChemSpider ID22750758

More details:

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

2-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamoyl}phenyl)-N-(4-phenylbutyl)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-(3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)carbamoyl}phenyl)-N-(4-phenylbutyl)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-(3-{[2-(3,4-Diméthoxyphényl)éthyl](méthyl)carbamoyl}phényl)-N-(4-phénylbutyl)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-[3-[[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]carbonyl]phenyl]-N-(4-phenylbutyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 740.83
ACD/KOC (pH 5.5): 3942.26
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 740.49
ACD/KOC (pH 7.4): 3940.47
Polar Surface Area: 94 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 472.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement