ChemSpider 2D Image | 7-Bromo-6-chloro-3-{3-[(2R)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone | C16H17BrClN3O3

7-Bromo-6-chloro-3-{3-[(2R)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone

  • Molecular FormulaC16H17BrClN3O3
  • Average mass414.681 Da
  • Monoisotopic mass413.014160 Da
  • ChemSpider ID78362274

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R)-3-hydroxy-2-piperidinyl]-2-oxopropyl]- [ACD/Index Name]
7-Brom-6-chlor-3-{3-[(2R)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
7-Bromo-6-chloro-3-{3-[(2R)-3-hydroxy-2-piperidinyl]-2-oxopropyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
7-Bromo-6-chloro-3-{3-[(2R)-3-hydroxy-2-pipéridinyl]-2-oxopropyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 595.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.1±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 82 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

Click to predict properties on the Chemicalize site


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