ChemSpider 2D Image | 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide | C31H39N3O5

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide

  • Molecular FormulaC31H39N3O5
  • Average mass533.659 Da
  • Monoisotopic mass533.289001 Da
  • ChemSpider ID22192403

More details:

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

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamid [German] [ACD/IUPAC Name]
4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)benzamide [ACD/IUPAC Name]
4-[(3,5-Diméthyl-1H-pyrazol-1-yl)méthyl]-N-{4-méthoxy-3-[(3-méthyl-3-oxétanyl)méthoxy]benzyl}-N-(tétrahydro-2-furanylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[[4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]phenyl]methyl]-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 715.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.3±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 149.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 310.50
ACD/KOC (pH 5.5): 2113.68
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 311.47
ACD/KOC (pH 7.4): 2120.25
Polar Surface Area: 75 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 439.7±7.0 cm3

Click to predict properties on the Chemicalize site


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