ChemSpider 2D Image | 5-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-isobutyl-2-furamide | C26H31F3N4O4S

5-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-isobutyl-2-furamide

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID21563755

More details:

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

2-Furancarboxamide, 5-[[[4-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)- [ACD/Index Name]
5-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-isobutyl-2-furamid [German] [ACD/IUPAC Name]
5-({[4-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-N-isobutyl-2-furamide [ACD/IUPAC Name]
5-({[4-{[2-(3,4-Diméthoxyphényl)éthyl](méthyl)amino}-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}méthyl)-N-isobutyl-2-furamide [French] [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: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6173.07
ACD/KOC (pH 5.5): 17981.59
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6173.27
ACD/KOC (pH 7.4): 17982.20
Polar Surface Area: 115 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 422.8±5.0 cm3

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