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

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

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID29790041

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[[(3aR,7aR)-octahydro-2-hydroxyfuro[3,2-b]pyridin-2-yl]methyl]- [ACD/Index Name]
7-Brom-6-chlor-3-{[(3aR,7aR)-2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
7-Bromo-6-chloro-3-{[(3aR,7aR)-2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
7-Bromo-6-chloro-3-{[(3aR,7aR)-2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]méthyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
1273594-72-1 [RN]
1315552-05-6 [RN]
7-Bromo-6-chloro-3-{[(3aR,7aR)-2-hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}quinazolin-4(3H)-one
cis-Halofuginone
rel-7-bromo-6-chloro-3-[[(3aS,7aS)-octahydro-2-hydroxyfuro[3,2-b]pyridin-2-yl]methyl]-4(3H)-quinazolinone

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


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