ChemSpider 2D Image | 3-Ethyl-7-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione | C22H20F3N5O5

3-Ethyl-7-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID31756388

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-ethyl-7-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
3-Ethyl-7-({4-[2-nitro-4-(trifluormethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-Ethyl-7-({4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-Éthyl-7-({4-[2-nitro-4-(trifluorométhyl)phényl]-1-pipérazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]

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: 1.594
Molar Refractivity: 115.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 315.33
ACD/KOC (pH 5.5): 2139.06
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 315.33
ACD/KOC (pH 7.4): 2139.04
Polar Surface Area: 119 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 339.6±3.0 cm3

Click to predict properties on the Chemicalize site


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