ChemSpider 2D Image | 4-({4-[({2-Methyl-4-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}methyl)amino]-5-(trifluoromethyl)-2-pyrimidinyl}amino)benzamide | C20H21F3N8O3S

4-({4-[({2-Methyl-4-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}methyl)amino]-5-(trifluoromethyl)-2-pyrimidinyl}amino)benzamide

  • Molecular FormulaC20H21F3N8O3S
  • Average mass510.493 Da
  • Monoisotopic mass510.140930 Da
  • ChemSpider ID129060911

More details:

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

4-({4-[({2-Methyl-4-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}methyl)amino]-5-(trifluormethyl)-2-pyrimidinyl}amino)benzamid [German] [ACD/IUPAC Name]
4-({4-[({2-Methyl-4-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}methyl)amino]-5-(trifluoromethyl)-2-pyrimidinyl}amino)benzamide [ACD/IUPAC Name]
4-({4-[({2-Méthyl-4-[méthyl(méthylsulfonyl)amino]-5-pyrimidinyl}méthyl)amino]-5-(trifluorométhyl)-2-pyrimidinyl}amino)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[4-[[[2-methyl-4-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 713.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.20
ACD/KOC (pH 5.5): 155.85
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.40
ACD/KOC (pH 7.4): 159.57
Polar Surface Area: 164 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 336.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement