ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl 3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}amino)propanoate | C32H39N7O4

1-Azabicyclo[2.2.2]oct-3-yl 3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}amino)propanoate

  • Molecular FormulaC32H39N7O4
  • Average mass585.697 Da
  • Monoisotopic mass585.306335 Da
  • ChemSpider ID9653631

More details:






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

1-Azabicyclo[2.2.2]oct-3-yl 3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl}amino)propanoate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl-3-(7-methyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,4-dihydro-3(2H)-chinazolinyl)-1-piperidinyl]carbonyl}amino)propanoat [German] [ACD/IUPAC Name]
3-(7-Méthyl-1H-indazol-5-yl)-2-({[4-(2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-pipéridinyl]carbonyl}amino)propanoate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 896.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 495.8±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 60.56
Polar Surface Area: 123 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 420.8±5.0 cm3

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