ChemSpider 2D Image | 6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C27H19Cl2FN4O3

6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC27H19Cl2FN4O3
  • Average mass537.369 Da
  • Monoisotopic mass536.081848 Da
  • ChemSpider ID119998947

More details:

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

6-Amino-1-(2-chlor-6-fluorbenzyl)-4-(3-chlor-4-hydroxy-5-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(3-chloro-4-hydroxy-5-méthoxyphényl)-3-phényl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydro-3-phenyl- [ACD/Index 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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5918.65
ACD/KOC (pH 5.5): 17434.76
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5110.33
ACD/KOC (pH 7.4): 15053.68
Polar Surface Area: 106 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 364.0±7.0 cm3

Click to predict properties on the Chemicalize site


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