ChemSpider 2D Image | cis-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl glycinate | C25H30F3N5O4

cis-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl glycinate

  • Molecular FormulaC25H30F3N5O4
  • Average mass521.532 Da
  • Monoisotopic mass521.224976 Da
  • ChemSpider ID35519907

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

cis-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluormethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexylglycinat [German] [ACD/IUPAC Name]
cis-4-({2-Carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}amino)cyclohexyl glycinate [ACD/IUPAC Name]
Glycinate de cis-4-({2-carbamoyl-5-[6,6-diméthyl-4-oxo-3-(trifluorométhyl)-4,5,6,7-tétrahydro-1H-indazol-1-yl]phényl}amino)cyclohexyle [French] [ACD/IUPAC Name]
Glycine, cis-4-[[2-(aminocarbonyl)-5-[4,5,6,7-tetrahydro-6,6-dimethyl-4-oxo-3-(trifluoromethyl)-1H-indazol-1-yl]phenyl]amino]cyclohexyl ester [ACD/Index Name]
908115-27-5 [RN]
SNX-5422

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 20.94
ACD/KOC (pH 7.4): 260.80
Polar Surface Area: 142 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 350.2±7.0 cm3

Click to predict properties on the Chemicalize site


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