ChemSpider 2D Image | 1-[2-({3-Amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea | C28H22F3N7O

1-[2-({3-Amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID4923838

More details:

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

1-[2-({3-Amino-4-[3-(trifluormethyl)phenyl]-1H-pyrazol-5-yl}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)harnstoff [German] [ACD/IUPAC Name]
1-[2-({3-Amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}methyl)phenyl]-3-(6-phenyl-3-pyridazinyl)urea [ACD/IUPAC Name]
1-[2-({3-Amino-4-[3-(trifluorométhyl)phényl]-1H-pyrazol-5-yl}méthyl)phényl]-3-(6-phényl-3-pyridazinyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[[3-amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]phenyl]-N'-(6-phenyl-3-pyridazinyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 704.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5172.02
ACD/KOC (pH 5.5): 15650.24
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5384.27
ACD/KOC (pH 7.4): 16292.47
Polar Surface Area: 122 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 373.6±3.0 cm3

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