ChemSpider 2D Image | 1-{[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl}-3-(2,3,4-trifluorophenyl)urea | C17H20F3N7O2

1-{[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl}-3-(2,3,4-trifluorophenyl)urea

  • Molecular FormulaC17H20F3N7O2
  • Average mass411.382 Da
  • Monoisotopic mass411.163055 Da
  • ChemSpider ID58393539

More details:

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

1-{[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl}-3-(2,3,4-trifluorophenyl)urea [ACD/IUPAC Name]
1-{[4-(Diméthylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]méthyl}-3-(2,3,4-trifluorophényl)urée [French] [ACD/IUPAC Name]
1-{[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl}-3-(2,3,4-trifluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methyl]-N'-(2,3,4-trifluorophenyl)- [ACD/Index Name]
1-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-3-(2,3,4-trifluorophenyl)urea

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 107.57
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 114.94
Polar Surface Area: 96 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 285.6±3.0 cm3

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