ChemSpider 2D Image | 3-[4-(1-Azepanylcarbonyl)benzyl]-6,7-dimethoxy-1-(2-methylbenzyl)-2,4(1H,3H)-quinazolinedione | C32H35N3O5

3-[4-(1-Azepanylcarbonyl)benzyl]-6,7-dimethoxy-1-(2-methylbenzyl)-2,4(1H,3H)-quinazolinedione

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID29064166

More details:

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

2,4(1H,3H)-Quinazolinedione, 3-[[4-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]methyl]-6,7-dimethoxy-1-[(2-methylphenyl)methyl]- [ACD/Index Name]
3-[4-(1-Azepanylcarbonyl)benzyl]-6,7-dimethoxy-1-(2-methylbenzyl)-2,4(1H,3H)-chinazolindion [German] [ACD/IUPAC Name]
3-[4-(1-Azepanylcarbonyl)benzyl]-6,7-dimethoxy-1-(2-methylbenzyl)-2,4(1H,3H)-quinazolinedione [ACD/IUPAC Name]
3-[4-(1-Azépanylcarbonyl)benzyl]-6,7-diméthoxy-1-(2-méthylbenzyl)-2,4(1H,3H)-quinazolinedione [French] [ACD/IUPAC Name]
3-[4-(azepan-1-ylcarbonyl)benzyl]-6,7-dimethoxy-1-(2-methylbenzyl)quinazoline-2,4(1H,3H)-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3693.49
ACD/KOC (pH 5.5): 12449.90
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3693.49
ACD/KOC (pH 7.4): 12449.90
Polar Surface Area: 79 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 435.1±3.0 cm3

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