ChemSpider 2D Image | N-(3-{4-[4-(4-Quinazolinyl)-1-piperazinyl]-1-piperidinyl}phenyl)isonicotinamide | C29H31N7O

N-(3-{4-[4-(4-Quinazolinyl)-1-piperazinyl]-1-piperidinyl}phenyl)isonicotinamide

  • Molecular FormulaC29H31N7O
  • Average mass493.603 Da
  • Monoisotopic mass493.259003 Da
  • ChemSpider ID52618005

More details:






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

4-Pyridinecarboxamide, N-[3-[4-[4-(4-quinazolinyl)-1-piperazinyl]-1-piperidinyl]phenyl]- [ACD/Index Name]
N-(3-{4-[4-(4-Chinazolinyl)-1-piperazinyl]-1-piperidinyl}phenyl)isonicotinamid [German] [ACD/IUPAC Name]
N-(3-{4-[4-(4-Quinazolinyl)-1-piperazinyl]-1-piperidinyl}phenyl)isonicotinamide [ACD/IUPAC Name]
N-(3-{4-[4-(4-Quinazolinyl)-1-pipérazinyl]-1-pipéridinyl}phényl)isonicotinamide [French] [ACD/IUPAC Name]
N-(3-{4-[4-(QUINAZOLIN-4-YL)PIPERAZIN-1-YL]PIPERIDIN-1-YL}PHENYL)PYRIDINE-4-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.692
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 35.72
ACD/KOC (pH 7.4): 254.96
Polar Surface Area: 77 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 380.8±3.0 cm3

Click to predict properties on the Chemicalize site






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