ChemSpider 2D Image | 3-{[(2S,3aS,7aS)-2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-quinazolinone | C16H19N3O3

3-{[(2S,3aS,7aS)-2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-quinazolinone

  • Molecular FormulaC16H19N3O3
  • Average mass301.340 Da
  • Monoisotopic mass301.142639 Da
  • ChemSpider ID71061194

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[[(2S,3aS,7aS)-Octahydro-2-hydroxyfuro[3,2-b]pyridin-2-yl]methyl]-4(3H)-quinazolinone
3-{[(2S,3aS,7aS)-2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-{[(2S,3aS,7aS)-2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]methyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
3-{[(2S,3aS,7aS)-2-Hydroxyoctahydrofuro[3,2-b]pyridin-2-yl]méthyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
32434-44-9 [RN]
4(3H)-Quinazolinone, 3-[[(2S,3aS,7aS)-octahydro-2-hydroxyfuro[3,2-b]pyridin-2-yl]methyl]- [ACD/Index Name]
3-[[(2S,3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Isofebrifugin
Isofebrifugine
MFCD21333721

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

Density: 1.5±0.1 g/cm3
Boiling Point: 519.8±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.2±32.3 °C
Index of Refraction: 1.716
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 202.8±7.0 cm3

Click to predict properties on the Chemicalize site


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