ChemSpider 2D Image | 2-[(3-Cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide | C22H26F3N3O2S

2-[(3-Cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

  • Molecular FormulaC22H26F3N3O2S
  • Average mass453.521 Da
  • Monoisotopic mass453.169769 Da
  • ChemSpider ID21734202

More details:

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

2-[(3-Cyclopentyl-4-oxo-3,4-dihydro-2-chinazolinyl)sulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluorethyl)acetamid [German] [ACD/IUPAC Name]
2-[(3-Cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide [ACD/IUPAC Name]
2-[(3-Cyclopentyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]-N-(1-cyclopropyléthyl)-N-(2,2,2-trifluoroéthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(3-cyclopentyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)- [ACD/Index 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: 549.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.1±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 114.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1193.77
ACD/KOC (pH 5.5): 5547.02
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1193.77
ACD/KOC (pH 7.4): 5547.02
Polar Surface Area: 78 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

Click to predict properties on the Chemicalize site


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