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

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

  • Molecular FormulaC31H37N7O5
  • Average mass587.669 Da
  • Monoisotopic mass587.285645 Da
  • ChemSpider ID30828856

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]-3-methylphenyl]-1H-pyrazol-5-yl]-4-[2-(4-morpholinyl)ethoxy]- [ACD/Index Name]
N-{3-[3-Methyl-4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}-4-[2-(4-morpholinyl)ethoxy]benzamid [German] [ACD/IUPAC Name]
N-{3-[3-Methyl-4-({[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}-4-[2-(4-morpholinyl)ethoxy]benzamide [ACD/IUPAC Name]
N-{3-[3-Méthyl-4-({[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]carbamoyl}amino)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: 682.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 54.65
ACD/KOC (pH 5.5): 345.47
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 373.06
ACD/KOC (pH 7.4): 2358.42
Polar Surface Area: 147 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 449.6±3.0 cm3

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