ChemSpider 2D Image | trans-4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide | C23H22F3N3O2

trans-4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

  • Molecular FormulaC23H22F3N3O2
  • Average mass429.435 Da
  • Monoisotopic mass429.166412 Da
  • ChemSpider ID126794596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, 4-[(4-oxo-3(4H)-quinazolinyl)methyl]-N-[3-(trifluoromethyl)phenyl]-, trans- [ACD/Index Name]
trans-4-[(4-Oxo-3(4H)-chinazolinyl)methyl]-N-[3-(trifluormethyl)phenyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-4-[(4-Oxo-3(4H)-quinazolinyl)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide [ACD/IUPAC Name]
trans-4-[(4-Oxo-3(4H)-quinazolinyl)méthyl]-N-[3-(trifluorométhyl)phényl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 808.07
ACD/KOC (pH 5.5): 4194.94
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 808.26
ACD/KOC (pH 7.4): 4195.91
Polar Surface Area: 62 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 317.4±7.0 cm3

Click to predict properties on the Chemicalize site


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