ChemSpider 2D Image | 4-[({2-[(1-Acetyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]benzenesulfonamide | C22H21F3N6O3S

4-[({2-[(1-Acetyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]benzenesulfonamide

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID8293664

More details:

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

4-[({2-[(1-Acetyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluormethyl)-4-pyrimidinyl}amino)methyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-[({2-[(1-Acetyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluoromethyl)-4-pyrimidinyl}amino)methyl]benzenesulfonamide [ACD/IUPAC Name]
4-[({2-[(1-Acétyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluorométhyl)-4-pyrimidinyl}amino)méthyl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[[2-[(1-acetyl-2,3-dihydro-1H-indol-6-yl)amino]-6-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]- [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: 772.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.2±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.05
ACD/KOC (pH 5.5): 496.01
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.29
ACD/KOC (pH 7.4): 498.85
Polar Surface Area: 139 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

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