ChemSpider 2D Image | 3-(4-Methoxybenzyl)-7-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione | C28H25F3N4O4

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

  • Molecular FormulaC28H25F3N4O4
  • Average mass538.518 Da
  • Monoisotopic mass538.182800 Da
  • ChemSpider ID57825714

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-[(4-methoxyphenyl)methyl]-7-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
3-(4-Methoxybenzyl)-7-({4-[3-(trifluormethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-(4-Methoxybenzyl)-7-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-(4-Méthoxybenzyl)-7-({4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}carbonyl)-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
3-(4-methoxybenzyl)-7-(4-(3-(trifluoromethyl)phenyl)piperazine-1-carbonyl)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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 135.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 814.89
ACD/KOC (pH 5.5): 4220.40
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 814.95
ACD/KOC (pH 7.4): 4220.72
Polar Surface Area: 82 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

Click to predict properties on the Chemicalize site


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