ChemSpider 2D Image | 1-{4-[4-Amino-7-(1-propyl-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl}-3-(3-fluorophenyl)urea | C26H23FN6OS

1-{4-[4-Amino-7-(1-propyl-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl}-3-(3-fluorophenyl)urea

  • Molecular FormulaC26H23FN6OS
  • Average mass486.564 Da
  • Monoisotopic mass486.163818 Da
  • ChemSpider ID24809077

More details:

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

1-{4-[4-Amino-7-(1-propyl-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl}-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-{4-[4-Amino-7-(1-propyl-1H-pyrazol-4-yl)thiéno[3,2-c]pyridin-3-yl]phényl}-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-{4-[4-Amino-7-(1-propyl-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl}-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-[4-amino-7-(1-propyl-1H-pyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-N'-(3-fluorophenyl)- [ACD/Index Name]
Kinome_480

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.710
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.19
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 1864.76
ACD/KOC (pH 5.5): 5174.95
ACD/LogD (pH 7.4): 5.37
ACD/BCF (pH 7.4): 7058.09
ACD/KOC (pH 7.4): 19587.08
Polar Surface Area: 126 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 348.3±7.0 cm3

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