ChemSpider 2D Image | trans-N-[3-(1-Cyclopropyl-1H-pyrazol-4-yl)phenyl]-4-hydroxy-N-{[trans-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl}cyclohexanecarboxamide | C34H43N3O3

trans-N-[3-(1-Cyclopropyl-1H-pyrazol-4-yl)phenyl]-4-hydroxy-N-{[trans-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl}cyclohexanecarboxamide

  • Molecular FormulaC34H43N3O3
  • Average mass541.724 Da
  • Monoisotopic mass541.330444 Da
  • ChemSpider ID128921646

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[3-(1-cyclopropyl-1H-pyrazol-4-yl)phenyl]-4-hydroxy-N-[[trans-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-, trans- [ACD/Index Name]
trans-N-[3-(1-Cyclopropyl-1H-pyrazol-4-yl)phenyl]-4-hydroxy-N-{[trans-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl}cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-[3-(1-Cyclopropyl-1H-pyrazol-4-yl)phenyl]-4-hydroxy-N-{[trans-4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl}cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-[3-(1-Cyclopropyl-1H-pyrazol-4-yl)phényl]-4-hydroxy-N-{[trans-4-(4-méthoxy-3-méthylphényl)cyclohexyl]méthyl}cyclohexanecarboxamide [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: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 157.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10399.23
ACD/KOC (pH 5.5): 26092.28
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10436.46
ACD/KOC (pH 7.4): 26185.70
Polar Surface Area: 68 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 433.6±7.0 cm3

Click to predict properties on the Chemicalize site


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