ChemSpider 2D Image | 6-Amino-3-(4-ethoxyphenyl)-4-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C30H27FN4O5

6-Amino-3-(4-ethoxyphenyl)-4-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC30H27FN4O5
  • Average mass542.558 Da
  • Monoisotopic mass542.196533 Da
  • ChemSpider ID3411668

More details:

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

6-Amino-3-(4-ethoxyphenyl)-4-{4-[(4-fluorbenzyl)oxy]-3,5-dimethoxyphenyl}-2,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-3-(4-ethoxyphenyl)-4-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-3-(4-éthoxyphényl)-4-{4-[(4-fluorobenzyl)oxy]-3,5-diméthoxyphényl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(4-ethoxyphenyl)-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-2,4-dihydro- [ACD/Index 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: 752.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.6±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 968.25
ACD/KOC (pH 5.5): 4774.78
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 968.24
ACD/KOC (pH 7.4): 4774.74
Polar Surface Area: 125 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 391.1±5.0 cm3

Click to predict properties on the Chemicalize site


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