ChemSpider 2D Image | Ethyl N-{[6-amino-4-(2,4-dimethoxyphenyl)-1-propyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]carbonyl}-N-methyl-beta-alaninate | C25H31F3N4O6

Ethyl N-{[6-amino-4-(2,4-dimethoxyphenyl)-1-propyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]carbonyl}-N-methyl-β-alaninate

  • Molecular FormulaC25H31F3N4O6
  • Average mass540.532 Da
  • Monoisotopic mass540.219543 Da
  • ChemSpider ID119960312

More details:

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

Ethyl N-{[6-amino-4-(2,4-dimethoxyphenyl)-1-propyl-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]carbonyl}-N-methyl-β-alaninate [ACD/IUPAC Name]
Ethyl-N-{[6-amino-4-(2,4-dimethoxyphenyl)-1-propyl-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]carbonyl}-N-methyl-β-alaninat [German] [ACD/IUPAC Name]
N-{[6-Amino-4-(2,4-diméthoxyphényl)-1-propyl-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]carbonyl}-N-méthyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[6-amino-4-(2,4-dimethoxyphenyl)-1,4-dihydro-1-propyl-3-(trifluoromethyl)pyrano[2,3-c]pyrazol-5-yl]carbonyl]-N-methyl-, ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 625.5±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: 332.1±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.68
ACD/KOC (pH 5.5): 1263.03
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.26
ACD/KOC (pH 7.4): 1276.24
Polar Surface Area: 118 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

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