ChemSpider 2D Image | 6-Amino-4-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C29H25FN4O5

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

  • Molecular FormulaC29H25FN4O5
  • Average mass528.531 Da
  • Monoisotopic mass528.180908 Da
  • ChemSpider ID4369467

More details:

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

6-Amino-4-{4-[(4-fluorbenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
6-Amino-4-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
6-Amino-4-{4-[(4-fluorobenzyl)oxy]-3,5-diméthoxyphényl}-3-(3-méthoxyphényl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-2,4-dihydro-3-(3-methoxyphenyl)- [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: 741.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.4±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 506.95
ACD/KOC (pH 5.5): 3004.71
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.86
ACD/KOC (pH 7.4): 3004.20
Polar Surface Area: 125 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 375.1±5.0 cm3

Click to predict properties on the Chemicalize site


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