ChemSpider 2D Image | 3-Isobutyl-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione | C22H19F3N4O3

3-Isobutyl-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC22H19F3N4O3
  • Average mass444.406 Da
  • Monoisotopic mass444.140930 Da
  • ChemSpider ID22525682

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-(2-methylpropyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
3-Isobutyl-1-({3-[3-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-Isobutyl-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-Isobutyl-1-({3-[3-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
1105241-02-8 [RN]
3-(2-methylpropyl)-1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
3-isobutyl-1-((3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)methyl)quinazoline-2,4(1H,3H)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2441.50
ACD/KOC (pH 5.5): 9257.22
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2441.50
ACD/KOC (pH 7.4): 9257.22
Polar Surface Area: 80 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 328.7±3.0 cm3

Click to predict properties on the Chemicalize site


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