ChemSpider 2D Image | 1-{4-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl}oxy)propyl]-1-piperazinyl}-2-methyl-1-propanone | C27H32ClN5O5

1-{4-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl}oxy)propyl]-1-piperazinyl}-2-methyl-1-propanone

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID9664422

More details:

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

1-{4-[3-({4-[(5-Chlor-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-chinazolinyl}oxy)propyl]-1-piperazinyl}-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-{4-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl}oxy)propyl]-1-piperazinyl}-2-methyl-1-propanone [ACD/IUPAC Name]
1-{4-[3-({4-[(5-Chloro-1,3-benzodioxol-4-yl)amino]-6-méthoxy-7-quinazolinyl}oxy)propyl]-1-pipérazinyl}-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-1-piperazinyl]-2-methyl- [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: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 61.54
ACD/KOC (pH 5.5): 376.68
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 431.55
ACD/KOC (pH 7.4): 2641.41
Polar Surface Area: 98 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 409.4±3.0 cm3

Click to predict properties on the Chemicalize site


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