ChemSpider 2D Image | 3-Allyl-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione | C21H15F3N4O3

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

  • Molecular FormulaC21H15F3N4O3
  • Average mass428.364 Da
  • Monoisotopic mass428.109619 Da
  • ChemSpider ID26310767

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-(2-propen-1-yl)-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
3-Allyl-1-({3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-Allyl-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-Allyl-1-({3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
1206994-10-6 [RN]
3-(prop-2-en-1-yl)-1-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
3-allyl-1-((3-(4-(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: 553.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1231.00
ACD/KOC (pH 5.5): 5670.30
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1231.00
ACD/KOC (pH 7.4): 5670.30
Polar Surface Area: 80 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 306.9±3.0 cm3

Click to predict properties on the Chemicalize site


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