ChemSpider 2D Image | N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-3-(4-Methylpiperazin-1-Yl)propanamide | C36H43N11O2

N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-3-(4-Methylpiperazin-1-Yl)propanamide

  • Molecular FormulaC36H43N11O2
  • Average mass661.799 Da
  • Monoisotopic mass661.360107 Da
  • ChemSpider ID30831849

More details:






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

1-Piperazinepropanamide, N-[4-[[4-[[[[1-(3-aminophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]phenyl]amino]-6-quinazolinyl]-4-methyl- [ACD/Index Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}-6-chinazolinyl)-3-(4-methyl-1-piperazinyl)propanamid [German] [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}-6-quinazolinyl)-3-(4-methyl-1-piperazinyl)propanamide [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)phényl]amino}-6-quinazolinyl)-3-(4-méthyl-1-pipérazinyl)propanamide [French] [ACD/IUPAC Name]
N-(4-{[4-({[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]carbamoyl}amino)phenyl]amino}quinazolin-6-Yl)-3-(4-Methylpiperazin-1-Yl)propanamide
10.1021/jm4004076
AQM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.9±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 189.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.96
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 52.44
ACD/KOC (pH 7.4): 452.74
Polar Surface Area: 158 Å2
Polarizability: 75.3±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 498.1±7.0 cm3

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