ChemSpider 2D Image | 3-[1-(2-Chloro-4-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide | C28H27ClFN3O5

3-[1-(2-Chloro-4-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID21898394

More details:

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

3(2H)-Quinazolinepropanamide, 1-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,4-dihydro-2,4-dioxo- [ACD/Index Name]
3-[1-(2-Chlor-4-fluorbenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-[1-(2-Chloro-4-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
3-[1-(2-Chloro-4-fluorobenzyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(3,4-diméthoxyphényl)éthyl]propanamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.603
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1699.31
ACD/KOC (pH 5.5): 7142.12
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1699.31
ACD/KOC (pH 7.4): 7142.12
Polar Surface Area: 88 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 407.6±3.0 cm3

Click to predict properties on the Chemicalize site


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