ChemSpider 2D Image | 3-{3-Amino-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-indazol-7-yl}-N,N-dimethylacrylamide | C26H23F3N6O2

3-{3-Amino-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-indazol-7-yl}-N,N-dimethylacrylamide

  • Molecular FormulaC26H23F3N6O2
  • Average mass508.495 Da
  • Monoisotopic mass508.183472 Da
  • ChemSpider ID24809039

More details:

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

2-Propenamide, 3-[3-amino-4-[4-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenyl]-1H-indazol-7-yl]-N,N-dimethyl- [ACD/Index Name]
3-{3-Amino-4-[4-({[3-(trifluormethyl)phenyl]carbamoyl}amino)phenyl]-1H-indazol-7-yl}-N,N-dimethylacrylamid [German] [ACD/IUPAC Name]
3-{3-Amino-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-indazol-7-yl}-N,N-dimethylacrylamide [ACD/IUPAC Name]
3-{3-Amino-4-[4-({[3-(trifluorométhyl)phényl]carbamoyl}amino)phényl]-1H-indazol-7-yl}-N,N-diméthylacrylamide [French] [ACD/IUPAC Name]
Kinome_631

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.5±31.5 °C
Index of Refraction: 1.706
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1159.77
ACD/KOC (pH 5.5): 5423.55
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1164.56
ACD/KOC (pH 7.4): 5445.94
Polar Surface Area: 116 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 355.0±3.0 cm3

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