ChemSpider 2D Image | N-Benzyl-N~3~-(6,8-dichloro-2-ethyl-4-quinazolinyl)-N~3~-(2-phenylethyl)-beta-alaninamide | C28H28Cl2N4O

N-Benzyl-N3-(6,8-dichloro-2-ethyl-4-quinazolinyl)-N3-(2-phenylethyl)-β-alaninamide

  • Molecular FormulaC28H28Cl2N4O
  • Average mass507.454 Da
  • Monoisotopic mass506.164032 Da
  • ChemSpider ID29263552

More details:

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

N-Benzyl-N3-(6,8-dichlor-2-ethyl-4-chinazolinyl)-N3-(2-phenylethyl)-β-alaninamid [German] [ACD/IUPAC Name]
N-Benzyl-N3-(6,8-dichloro-2-ethyl-4-quinazolinyl)-N3-(2-phenylethyl)-β-alaninamide [ACD/IUPAC Name]
N-Benzyl-N3-(6,8-dichloro-2-éthyl-4-quinazolinyl)-N3-(2-phényléthyl)-β-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 3-[(6,8-dichloro-2-ethyl-4-quinazolinyl)(2-phenylethyl)amino]-N-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 37.65
ACD/KOC (pH 5.5): 91.07
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 44.65
ACD/KOC (pH 7.4): 107.99
Polar Surface Area: 58 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 398.1±3.0 cm3

Click to predict properties on the Chemicalize site


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