ChemSpider 2D Image | 6-Amino-4-(3,4-dichlorophenyl)-1-(2-fluorobenzyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C21H15Cl2FN4O

6-Amino-4-(3,4-dichlorophenyl)-1-(2-fluorobenzyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC21H15Cl2FN4O
  • Average mass429.274 Da
  • Monoisotopic mass428.060699 Da
  • ChemSpider ID120008825

More details:

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

6-Amino-4-(3,4-dichlorophenyl)-1-(2-fluorobenzyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-4-(3,4-dichlorophényl)-1-(2-fluorobenzyl)-3-méthyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
6-Amino-4-(3,4-dichlorphenyl)-1-(2-fluorbenzyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1,4-dihydro-3-methyl- [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: 625.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4024.46
ACD/KOC (pH 5.5): 13234.47
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4028.86
ACD/KOC (pH 7.4): 13248.95
Polar Surface Area: 77 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 292.6±7.0 cm3

Click to predict properties on the Chemicalize site


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