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ChemSpider 2D Image | 5-(2-Anilino-4-pyrimidinyl)-2-phenyl-1H-pyrrole-3-carboxamide | C21H17N5O

5-(2-Anilino-4-pyrimidinyl)-2-phenyl-1H-pyrrole-3-carboxamide

  • Molecular FormulaC21H17N5O
  • Average mass355.393 Da
  • Monoisotopic mass355.143311 Da
  • ChemSpider ID26362811

More details:






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

1H-Pyrrole-3-carboxamide, 2-phenyl-5-[2-(phenylamino)-4-pyrimidinyl]- [ACD/Index Name]
5-(2-Anilino-4-pyrimidinyl)-2-phenyl-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
5-(2-Anilino-4-pyrimidinyl)-2-phenyl-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
5-(2-Anilino-4-pyrimidinyl)-2-phényl-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 641.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.32
ACD/KOC (pH 5.5): 1488.34
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 194.71
ACD/KOC (pH 7.4): 1514.71
Polar Surface Area: 97 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 269.5±3.0 cm3

Click to predict properties on the Chemicalize site





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