ChemSpider 2D Image | 4-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(2-methyl-2-propanyl)-2-pyrimidinyl]sulfanyl}methyl)-N-(2-furylmethyl)benzamide | C32H38N4O4S

4-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(2-methyl-2-propanyl)-2-pyrimidinyl]sulfanyl}methyl)-N-(2-furylmethyl)benzamide

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID21565855

More details:

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

4-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(2-methyl-2-propanyl)-2-pyrimidinyl]sulfanyl}methyl)-N-(2-furylmethyl)benzamid [German] [ACD/IUPAC Name]
4-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(2-methyl-2-propanyl)-2-pyrimidinyl]sulfanyl}methyl)-N-(2-furylmethyl)benzamide [ACD/IUPAC Name]
4-({[4-{[2-(3,4-Diméthoxyphényl)éthyl](méthyl)amino}-6-(2-méthyl-2-propanyl)-2-pyrimidinyl]sulfanyl}méthyl)-N-(2-furylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[[4-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-6-(1,1-dimethylethyl)-2-pyrimidinyl]thio]methyl]-N-(2-furanylmethyl)- [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: 754.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.1±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 28954.70
ACD/KOC (pH 5.5): 49148.33
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 41059.65
ACD/KOC (pH 7.4): 69695.54
Polar Surface Area: 115 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

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