ChemSpider 2D Image | {4-Amino-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoate | C23H22ClN7O3

{4-Amino-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoate

  • Molecular FormulaC23H22ClN7O3
  • Average mass479.919 Da
  • Monoisotopic mass479.147278 Da
  • ChemSpider ID30622242

More details:

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

{4-Amino-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoate [ACD/IUPAC Name]
{4-Amino-6-[(4-chlorphenyl)amino]-1,3,5-triazin-2-yl}methyl-4-oxo-4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)butanoat [German] [ACD/IUPAC Name]
1H-Pyrazole-1-butanoic acid, 4,5-dihydro-γ-oxo-3-phenyl-, [4-amino-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl ester [ACD/Index Name]
4-Oxo-4-(3-phényl-4,5-dihydro-1H-pyrazol-1-yl)butanoate de {4-amino-6-[(4-chlorophényl)amino]-1,3,5-triazin-2-yl}méthyle [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: 730.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.19
ACD/KOC (pH 5.5): 470.46
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.63
ACD/KOC (pH 7.4): 475.89
Polar Surface Area: 136 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 329.9±7.0 cm3

Click to predict properties on the Chemicalize site


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