ChemSpider 2D Image | N-(3-{4-[({[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)methyl]phenyl}-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]benzamide | C31H37N7O5

N-(3-{4-[({[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)methyl]phenyl}-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]benzamide

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID30828863

More details:

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

Benzamide, N-[3-[4-[[[[[5-(1,1-dimethylethyl)-3-isoxazolyl]amino]carbonyl]amino]methyl]phenyl]-1H-pyrazol-5-yl]-4-[2-(4-morpholinyl)ethoxy]- [ACD/Index Name]
N-(3-{4-[({[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)methyl]phenyl}-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]benzamid [German] [ACD/IUPAC Name]
N-(3-{4-[({[5-(2-Methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)methyl]phenyl}-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]benzamide [ACD/IUPAC Name]
N-(3-{4-[({[5-(2-Méthyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)méthyl]phényl}-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)éthoxy]benzamide [French] [ACD/IUPAC 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: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 36.49
ACD/KOC (pH 5.5): 258.72
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 249.12
ACD/KOC (pH 7.4): 1766.40
Polar Surface Area: 147 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

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