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

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

  • Molecular FormulaC27H19Cl2FN4O3
  • Average mass537.369 Da
  • Monoisotopic mass536.081848 Da
  • ChemSpider ID119979933

More details:

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

6-Amino-1-(2-chlor-6-fluorbenzyl)-4-(5-chlor-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphényl)-3-(4-méthoxyphényl)-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-(5-chloro-2-hydroxyphenyl)-1,4-dihydro-3-(4-methoxyphenyl)- [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: 694.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 373.8±31.5 °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: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6176.12
ACD/KOC (pH 5.5): 17983.03
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5982.08
ACD/KOC (pH 7.4): 17418.04
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


Advertisement