ChemSpider 2D Image | 1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-[4-(difluoromethoxy)phenyl]urea | C26H22F2N6O3S

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

  • Molecular FormulaC26H22F2N6O3S
  • Average mass536.553 Da
  • Monoisotopic mass536.144226 Da
  • ChemSpider ID24809071

More details:

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

1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-[4-(difluormethoxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-[4-(difluoromethoxy)phenyl]urea [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyéthyl)-1H-pyrazol-4-yl]thiéno[3,2-c]pyridin-3-yl}phényl)-3-[4-(difluorométhoxy)phényl]urée [French] [ACD/IUPAC Name]
1227939-83-4 [RN]
Urea, N-[4-[4-amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-N'-[4-(difluoromethoxy)phenyl]- [ACD/Index Name]
Kinome_506

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

Density: 1.5±0.1 g/cm3
Boiling Point: 701.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 138.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 160.78
ACD/KOC (pH 5.5): 893.91
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 611.99
ACD/KOC (pH 7.4): 3402.57
Polar Surface Area: 156 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 355.7±7.0 cm3

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