ChemSpider 2D Image | 6-Amino-N-(1H-benzimidazol-2-ylmethyl)-1-phenyl-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C26H20F3N7O2

6-Amino-N-(1H-benzimidazol-2-ylmethyl)-1-phenyl-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC26H20F3N7O2
  • Average mass519.478 Da
  • Monoisotopic mass519.163086 Da
  • ChemSpider ID119678952

More details:

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

6-Amino-N-(1H-benzimidazol-2-ylmethyl)-1-phenyl-4-(1H-pyrrol-2-yl)-3-(trifluormethyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-N-(1H-benzimidazol-2-ylmethyl)-1-phenyl-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-N-(1H-benzimidazol-2-ylméthyl)-1-phényl-4-(1H-pyrrol-2-yl)-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-(1H-benzimidazol-2-ylmethyl)-1,4-dihydro-1-phenyl-4-(1H-pyrrol-2-yl)-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 783.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.5±32.9 °C
Index of Refraction: 1.727
Molar Refractivity: 130.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 46.44
ACD/KOC (pH 5.5): 462.60
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.66
ACD/KOC (pH 7.4): 803.40
Polar Surface Area: 127 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 328.4±7.0 cm3

Click to predict properties on the Chemicalize site


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