ChemSpider 2D Image | 6-Amino-N-[2-(diethylamino)ethyl]-1-(4-fluorobenzyl)-4-(3-methylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C28H31F4N5O2

6-Amino-N-[2-(diethylamino)ethyl]-1-(4-fluorobenzyl)-4-(3-methylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC28H31F4N5O2
  • Average mass545.572 Da
  • Monoisotopic mass545.241394 Da
  • ChemSpider ID119636016

More details:

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

6-Amino-N-[2-(diethylamino)ethyl]-1-(4-fluorbenzyl)-4-(3-methylphenyl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-N-[2-(diethylamino)ethyl]-1-(4-fluorobenzyl)-4-(3-methylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-N-[2-(diéthylamino)éthyl]-1-(4-fluorobenzyl)-4-(3-méthylphényl)-3-(trifluorométhyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, 6-amino-N-[2-(diethylamino)ethyl]-1-[(4-fluorophenyl)methyl]-1,4-dihydro-4-(3-methylphenyl)-3-(trifluoromethyl)- [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: 648.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.7±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 16.18
ACD/KOC (pH 7.4): 77.31
Polar Surface Area: 85 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 414.5±7.0 cm3

Click to predict properties on the Chemicalize site


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