ChemSpider 2D Image | 7-Bromo-6-chloro-3-[(2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)methyl]-4(3H)-quinazolinone | C16H17BrClN3O3

7-Bromo-6-chloro-3-[(2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)methyl]-4(3H)-quinazolinone

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID50645144

More details:

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

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[(octahydro-2-hydroxyfuro[3,2-b]pyridin-2-yl)methyl]- [ACD/Index Name]
7-Brom-6-chlor-3-[(2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)methyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
7-Bromo-6-chloro-3-[(2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)methyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
7-Bromo-6-chloro-3-[(2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl)méthyl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
1273594-72-1 [RN]
cis-Halofuginone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 608.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.8±34.3 °C
Index of Refraction: 1.755
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.30
Polar Surface Area: 74 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 224.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement