ChemSpider 2D Image | 4-{3-[(3-Chlorophenyl)amino]-2-({[5-(2,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}amino)-3-oxopropyl}phenyl acetate | C28H23ClF2N4O4

4-{3-[(3-Chlorophenyl)amino]-2-({[5-(2,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}amino)-3-oxopropyl}phenyl acetate

  • Molecular FormulaC28H23ClF2N4O4
  • Average mass552.956 Da
  • Monoisotopic mass552.137573 Da
  • ChemSpider ID120886929

More details:

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

1H-Pyrazole-3-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[(3-chlorophenyl)amino]-2-oxoethyl]-5-(2,5-difluorophenyl)-1-methyl- [ACD/Index Name]
4-{3-[(3-Chlorophenyl)amino]-2-({[5-(2,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}amino)-3-oxopropyl}phenyl acetate [ACD/IUPAC Name]
4-{3-[(3-Chlorphenyl)amino]-2-({[5-(2,5-difluorphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}amino)-3-oxopropyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{3-[(3-chlorophényl)amino]-2-({[5-(2,5-difluorophényl)-1-méthyl-1H-pyrazol-3-yl]carbonyl}amino)-3-oxopropyl}phényle [French] [ACD/IUPAC 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: 775.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 863.36
ACD/KOC (pH 5.5): 4205.13
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 77.81
ACD/KOC (pH 7.4): 378.99
Polar Surface Area: 102 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 405.2±7.0 cm3

Click to predict properties on the Chemicalize site


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