ChemSpider 2D Image | 3-[4-(2-Amino-6-{1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}-4-pyrimidinyl)phenyl]-2-imino-1,1-propanediol | C25H22ClF3N6O3

3-[4-(2-Amino-6-{1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}-4-pyrimidinyl)phenyl]-2-imino-1,1-propanediol

  • Molecular FormulaC25H22ClF3N6O3
  • Average mass546.929 Da
  • Monoisotopic mass546.139404 Da
  • ChemSpider ID95616292

More details:

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

1,1-Propanediol, 3-[4-[2-amino-6-[1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]phenyl]-2-imino- [ACD/Index Name]
3-[4-(2-Amino-6-{1-[4-chlor-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluorethoxy}-4-pyrimidinyl)phenyl]-2-imino-1,1-propandiol [German] [ACD/IUPAC Name]
3-[4-(2-Amino-6-{1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}-4-pyrimidinyl)phenyl]-2-imino-1,1-propanediol [ACD/IUPAC Name]
3-[4-(2-Amino-6-{1-[4-chloro-2-(3-méthyl-1H-pyrazol-1-yl)phényl]-2,2,2-trifluoroéthoxy}-4-pyrimidinyl)phényl]-2-imino-1,1-propanediol [French] [ACD/IUPAC 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: 757.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 46.08
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 62.40
ACD/KOC (pH 7.4): 630.95
Polar Surface Area: 143 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 362.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement