ChemSpider 2D Image | 6-Amino-1-(2,5-dimethylbenzyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide | C32H31N7O2

6-Amino-1-(2,5-dimethylbenzyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC32H31N7O2
  • Average mass545.634 Da
  • Monoisotopic mass545.253906 Da
  • ChemSpider ID119531615

More details:

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

6-Amino-1-(2,5-dimethylbenzyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
6-Amino-1-(2,5-dimethylbenzyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
6-Amino-1-(2,5-diméthylbenzyl)-N-[2-(1H-imidazol-5-yl)éthyl]-3-phényl-4-(4-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carboxamide, 6-amino-1-[(2,5-dimethylphenyl)methyl]-1,4-dihydro-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenyl-4-(4-pyridinyl)- [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: 834.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.3±3.0 kJ/mol
Flash Point: 458.7±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 22.88
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 118.12
ACD/KOC (pH 7.4): 869.61
Polar Surface Area: 124 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

Click to predict properties on the Chemicalize site


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