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

1-[2-({5-Amino-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl}methyl)phenyl]-2-(6-phenyl-3-pyridazinyl)guanidine

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID5244994

More details:

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

1-[2-({5-Amino-4-[3-(trifluormethyl)phenyl]-1,2-oxazol-3-yl}methyl)phenyl]-2-(6-phenyl-3-pyridazinyl)guanidin [German] [ACD/IUPAC Name]
1-[2-({5-Amino-4-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl}methyl)phenyl]-2-(6-phenyl-3-pyridazinyl)guanidine [ACD/IUPAC Name]
1-[2-({5-Amino-4-[3-(trifluorométhyl)phényl]-1,2-oxazol-3-yl}méthyl)phényl]-2-(6-phényl-3-pyridazinyl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[2-[[5-amino-4-[3-(trifluoromethyl)phenyl]-3-isoxazolyl]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: 762.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 435.60
ACD/KOC (pH 5.5): 2689.28
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 439.21
ACD/KOC (pH 7.4): 2711.52
Polar Surface Area: 128 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 377.7±7.0 cm3

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