ChemSpider 2D Image | N-{3-[Ethyl(phenyl)amino]propyl}-4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide | C28H28N4O4S

N-{3-[Ethyl(phenyl)amino]propyl}-4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide

  • Molecular FormulaC28H28N4O4S
  • Average mass516.611 Da
  • Monoisotopic mass516.183105 Da
  • ChemSpider ID2563542

More details:

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

Benzamide, 4-[(5,8-dihydro-8-oxo-6-thioxo-1,3-dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]-N-[3-(ethylphenylamino)propyl]- [ACD/Index Name]
N-{3-[Ethyl(phenyl)amino]propyl}-4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]chinazolin-7(6H)-yl)methyl]benzamid [German] [ACD/IUPAC Name]
N-{3-[Ethyl(phenyl)amino]propyl}-4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)methyl]benzamide [ACD/IUPAC Name]
N-{3-[Éthyl(phényl)amino]propyl}-4-[(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)méthyl]benzamide [French] [ACD/IUPAC Name]
N-(3-(ethyl(phenyl)amino)propyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide

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: 1.705
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 152.68
ACD/KOC (pH 5.5): 844.00
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 621.99
ACD/KOC (pH 7.4): 3438.32
Polar Surface Area: 115 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 75.1±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

Click to predict properties on the Chemicalize site


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