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

6-Amino-N-[4-(dimethylamino)butyl]-1-(2-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 ID119636018

More details:

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

6-Amino-N-[4-(dimethylamino)butyl]-1-(2-fluorbenzyl)-4-(3-methylphenyl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-N-[4-(dimethylamino)butyl]-1-(2-fluorobenzyl)-4-(3-methylphenyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-N-[4-(diméthylamino)butyl]-1-(2-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-[4-(dimethylamino)butyl]-1-[(2-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: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±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: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 27.69
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


Advertisement