ChemSpider 2D Image | N-Cyclopentyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-methoxy-4-(tetrahydro-2H-pyran-2-ylmethoxy)benzyl]benzamide | C31H39N3O4

N-Cyclopentyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-methoxy-4-(tetrahydro-2H-pyran-2-ylmethoxy)benzyl]benzamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID22196906

More details:

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

Benzamide, N-cyclopentyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[[3-methoxy-4-[(tetrahydro-2H-pyran-2-yl)methoxy]phenyl]methyl]- [ACD/Index Name]
N-Cyclopentyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-methoxy-4-(tetrahydro-2H-pyran-2-ylmethoxy)benzyl]benzamid [German] [ACD/IUPAC Name]
N-Cyclopentyl-3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-methoxy-4-(tetrahydro-2H-pyran-2-ylmethoxy)benzyl]benzamide [ACD/IUPAC Name]
N-Cyclopentyl-3-(3,5-diméthyl-1H-pyrazol-1-yl)-N-[3-méthoxy-4-(tétrahydro-2H-pyran-2-ylméthoxy)benzyl]benzamide [French] [ACD/IUPAC 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: 695.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1781.47
ACD/KOC (pH 5.5): 7387.42
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1781.65
ACD/KOC (pH 7.4): 7388.15
Polar Surface Area: 66 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 428.8±7.0 cm3

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