ChemSpider 2D Image | 2-[4-(Isopropylsulfanyl)phenyl]-N-{2-[4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]ethyl}acetamide | C22H26F3N3OS

2-[4-(Isopropylsulfanyl)phenyl]-N-{2-[4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]ethyl}acetamide

  • Molecular FormulaC22H26F3N3OS
  • Average mass437.522 Da
  • Monoisotopic mass437.174866 Da
  • ChemSpider ID30675322

More details:

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

2-[4-(Isopropylsulfanyl)phenyl]-N-{2-[4-(trifluormethyl)-5,6,7,8-tetrahydro-2-chinazolinyl]ethyl}acetamid [German] [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)phenyl]-N-{2-[4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]ethyl}acetamide [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)phényl]-N-{2-[4-(trifluorométhyl)-5,6,7,8-tétrahydro-2-quinazolinyl]éthyl}acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, 4-[(1-methylethyl)thio]-N-[2-[5,6,7,8-tetrahydro-4-(trifluoromethyl)-2-quinazolinyl]ethyl]- [ACD/Index Name]
1421583-51-8 [RN]
2-(4-(isopropylthio)phenyl)-N-(2-(4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl)acetamide
2-[4-(propan-2-ylsulfanyl)phenyl]-N-{2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl}acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2089.03
ACD/KOC (pH 5.5): 8279.65
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2089.03
ACD/KOC (pH 7.4): 8279.68
Polar Surface Area: 80 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 345.3±5.0 cm3

Click to predict properties on the Chemicalize site


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