ChemSpider 2D Image | 4-{3-[(6-Ethyl-2,4-diimino-1,2,3,4-tetrahydro-5-pyrimidinyl)oxy]propoxy}-3-(trifluoromethyl)benzenesulfonamide | C16H20F3N5O4S

4-{3-[(6-Ethyl-2,4-diimino-1,2,3,4-tetrahydro-5-pyrimidinyl)oxy]propoxy}-3-(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID58829803

More details:

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

4-{3-[(6-Ethyl-2,4-diimino-1,2,3,4-tetrahydro-5-pyrimidinyl)oxy]propoxy}-3-(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-{3-[(6-Ethyl-2,4-diimino-1,2,3,4-tetrahydro-5-pyrimidinyl)oxy]propoxy}-3-(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
4-{3-[(6-Éthyl-2,4-diimino-1,2,3,4-tétrahydro-5-pyrimidinyl)oxy]propoxy}-3-(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[3-[(6-ethyl-1,2,3,4-tetrahydro-2,4-diimino-5-pyrimidinyl)oxy]propoxy]-3-(trifluoromethyl)- [ACD/Index Name]
2,4-diamino-6-ethyl-5,3'-(2-trifluoromethyl-4-sulphonamidophenoxy)prop-1'-yloxypyrimidine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 571.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.5±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 159 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

Click to predict properties on the Chemicalize site


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